API & reference standards

Felbinac

Felbinac is listed in the API and reference-standard collection under CAS 5728-52-9. Its represented structure has formula C14H12O2 and a calculated molecular weight of 212.25 g/mol.

2D chemical structure

Chemical identity

Catalog name: Felbinac
Common name: Felbinac
Chemical name: 2-(4-phenylphenyl)acetic acid
CAS: 5728-52-9
SMILES: O=C(O)Cc1ccc(-c2ccccc2)cc1
InChI: InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
InChIKey: QRZAKQDHEVVFRX-UHFFFAOYSA-N

Record ID: A8e0b10c50094

Computed properties

C14H12O2 Molecular formula

212.248 g/molMolecular weight

212.0837 DaMonoisotopic exact mass

37.3 Å²Topological polar surface area

2.9807 Calculated LogP (Wildman–Crippen)

63.2178 cm³/molMolar refractivity (Wildman–Crippen)

1 countHydrogen-bond acceptors

1 countHydrogen-bond donors

Descriptors are calculated from the displayed SMILES. Calculated LogP is not a measured partition coefficient or a pH-specific LogD.

Molecular descriptor profile

Descriptor radar

Structural feature counts

Element composition

Radar scale: 0–100 percentile within 25,771 distinct represented structures in this release, using the midpoint rank for ties. Larger values indicate a higher descriptor rank, not greater safety or toxicity. Element counts include hydrogen and combine isotopes under each element.

Radar values and percentile reference

Descriptor	Value	Percentile
Molecular weight	212.248	20.53
Calculated LogP (Wildman–Crippen)	2.9807	61.51
Topological polar surface area	37.3	18.83
Hydrogen-bond acceptors	1	4.43
Hydrogen-bond donors	1	38.08
Rotatable bonds (strict)	3	37.08

Complete molecular descriptors

Property	Calculated value	Unit / type
Molecular formula	C14H12O2	dimensionless
Molecular weight	212.248	g/mol
Monoisotopic exact mass	212.0837	Da
Topological polar surface area	37.3	Å²
Calculated LogP (Wildman–Crippen)	2.9807	dimensionless
Molar refractivity (Wildman–Crippen)	63.2178	cm³/mol
Hydrogen-bond acceptors	1	count
Hydrogen-bond donors	1	count
Rotatable bonds (strict)	3	count
Heavy atoms	16	count
Heteroatoms	2	count
Rings	2	count
Aromatic rings	2	count
Aliphatic rings	0	count
Saturated rings	0	count
Aromatic heterocycles	0	count
Aliphatic heterocycles	0	count
Saturated heterocycles	0	count
Aromatic carbocycles	2	count
Aliphatic carbocycles	0	count
Fraction of sp³ carbon atoms	0.0714	fraction
Formal charge	0	e
Disconnected components	1	count
Isotopically specified atoms	0	count
Potential atom stereocenters	0	count
Unspecified atom stereocenters	0	count
Spiro atoms	0	count
Bridgehead atoms	0	count
Labute approximate surface area	94.1741	Å²
Valence electrons	80	count
Radical electrons	0	count
Bertz complexity	471.8483	index
Balaban J	2.2287	index

Ring categories overlap and should not be summed. No toxicity result, PDE, HBEL or acceptable intake is inferred from these descriptors.

Toxicological services and resources for Felbinac

PDE, HBEL and impurity assessment for Felbinac

For a substance-specific assessment, request a PDE report for Felbinac or explore HBEL derivation for Felbinac. These services address exposure limits using toxicological evidence and the intended use of the substance.

For pharmaceutical development, explore prediction of degradation products of Felbinac and qualification of impurities related to Felbinac.

Related Altox services and technical resources

Other catalogue designations with the same represented structure

These are separate catalogue entries; shared structure does not establish interchangeable pharmacopoeial designations.

Felbinac

Identity sources and calculation method

Identifiers originate from the source catalogues and available public identity records. InChI and InChIKey on this page are generated from the displayed SMILES. RDKit validation checks the molecular representation; it does not independently verify every catalogue assignment.

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