2-(2-hydroxyanilino)-4-phenylbenzoic acid

C19H15NO3 — CID 68960538

IUPAC2-(2-hydroxyanilino)-4-phenylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2)cc1Nc1ccccc1O
InChIInChI=1S/C19H15NO3/c21-18-9-5-4-8-16(18)20-17-12-14(10-11-15(17)19(22)23)13-6-2-1-3-7-13/h1-12,20-21H,(H,22,23)
InChIKeyMCBSMAMZJNFWJU-UHFFFAOYSA-N
MW305.33 g/mol
LogP4.50
Rot. Bonds4

About 2-(2-hydroxyanilino)-4-phenylbenzoic acid

2-(2-hydroxyanilino)-4-phenylbenzoic acid (PubChem CID 68960538) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-(2-hydroxyanilino)-4-phenylbenzoic acid.

Molecular Properties

Compound Name2-(2-hydroxyanilino)-4-phenylbenzoic acid
PubChem CID68960538
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name2-(2-hydroxyanilino)-4-phenylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2)cc1Nc1ccccc1O
InChIInChI=1S/C19H15NO3/c21-18-9-5-4-8-16(18)20-17-12-14(10-11-15(17)19(22)23)13-6-2-1-3-7-13/h1-12,20-21H,(H,22,23)
InChIKeyMCBSMAMZJNFWJU-UHFFFAOYSA-N
XLogP4.50
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoroanilino)-4-phenylbenzoic acid
CID 68958907
2-(2-nitroanilino)-4-phenylbenzoic acid
CID 68959849
4-(3-hydroxyphenyl)-2-(2-methylanilino)benzoic acid
CID 68962733
2-(4-acetylanilino)-4-phenylbenzoic acid
CID 68960140
2-(isoquinolin-5-ylamino)-4-phenylbenzoic acid
CID 68958440
2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid
CID 167346908
2-[5-(4-ethylpiperazin-1-yl)-2-hydroxyanilino]-4-phenylbenzoic acid
CID 87408660
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-phenylbenzoic acid
CID 46853577
4-bromo-2-(2-carboxyanilino)benzoic acid
CID 13257846
2-(2-hydroxy-4-phenylbenzoyl)benzoic acid
CID 18006881
2-chloro-4-phenylbenzoic acid
CID 21487426
2-[(2-hydroxy-4-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoic acid
CID 66990128

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyanilino)-4-phenylbenzoic acid?
The IUPAC name of 2-(2-hydroxyanilino)-4-phenylbenzoic acid (CID 68960538) is 2-(2-hydroxyanilino)-4-phenylbenzoic acid.
What is the SMILES notation for 2-(2-hydroxyanilino)-4-phenylbenzoic acid?
The canonical SMILES for 2-(2-hydroxyanilino)-4-phenylbenzoic acid is O=C(O)c1ccc(-c2ccccc2)cc1Nc1ccccc1O.
What is the InChIKey of 2-(2-hydroxyanilino)-4-phenylbenzoic acid?
The InChIKey is MCBSMAMZJNFWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c21-18-9-5-4-8-16(18)20-17-12-14(10-11-15(17)19(22)23)13-6-2-1-3-7-13/h1-12,20-21H,(H,22,23).
What are the key properties of 2-(2-hydroxyanilino)-4-phenylbenzoic acid?
2-(2-hydroxyanilino)-4-phenylbenzoic acid has a molecular weight of 305.33 g/mol, XLogP of 4.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyanilino)-4-phenylbenzoic acid is sourced from PubChem (CID 68960538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).