2-(2-hydroxy-N-methylanilino)-4-phenylbenzoic acid

C20H17NO3 — CID 67462005

IUPAC2-(2-hydroxy-N-methylanilino)-4-phenylbenzoic acid
SMILESCN(c1ccccc1O)c1cc(-c2ccccc2)ccc1C(=O)O
InChIInChI=1S/C20H17NO3/c1-21(17-9-5-6-10-19(17)22)18-13-15(11-12-16(18)20(23)24)14-7-3-2-4-8-14/h2-13,22H,1H3,(H,23,24)
InChIKeyBZBKFPCWBYMZMB-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.53
Rot. Bonds4

About 2-(2-hydroxy-N-methylanilino)-4-phenylbenzoic acid

2-(2-hydroxy-N-methylanilino)-4-phenylbenzoic acid (PubChem CID 67462005) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-(2-hydroxy-N-methylanilino)-4-phenylbenzoic acid.

Molecular Properties

Compound Name2-(2-hydroxy-N-methylanilino)-4-phenylbenzoic acid
PubChem CID67462005
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name2-(2-hydroxy-N-methylanilino)-4-phenylbenzoic acid
SMILESCN(c1ccccc1O)c1cc(-c2ccccc2)ccc1C(=O)O
InChIInChI=1S/C20H17NO3/c1-21(17-9-5-6-10-19(17)22)18-13-15(11-12-16(18)20(23)24)14-7-3-2-4-8-14/h2-13,22H,1H3,(H,23,24)
InChIKeyBZBKFPCWBYMZMB-UHFFFAOYSA-N
XLogP4.53
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-phenylbenzene-1,3-dicarboxylic acid
CID 117100492
2-(2-hydroxy-4-phenylbenzoyl)benzoic acid
CID 18006881
2-hydroxy-5-(3-methoxyphenyl)benzoic acid
CID 4564140
2-(2-hydroxyanilino)-4-phenylbenzoic acid
CID 68960538
2-hydroxy-4-(4-methylphenyl)benzoic acid
CID 53224890
2-chloro-4-phenylbenzoic acid
CID 21487426
2-fluoro-N-(2-fluorophenyl)-N-methyl-5-phenylaniline
CID 90266693
5-(3-carboxyphenyl)-2-hydroxybenzoic acid
CID 102139788
5-phenyl-2-propan-2-yloxybenzoic acid
CID 83969126
4-fluoro-2-(N-methylanilino)benzoic acid
CID 83721799
2-hydroxy-4-phenylbenzenecarbothioic S-acid
CID 174612922
2-hydroxy-4-phenylbenzamide
CID 19349044

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-N-methylanilino)-4-phenylbenzoic acid?
The IUPAC name of 2-(2-hydroxy-N-methylanilino)-4-phenylbenzoic acid (CID 67462005) is 2-(2-hydroxy-N-methylanilino)-4-phenylbenzoic acid.
What is the SMILES notation for 2-(2-hydroxy-N-methylanilino)-4-phenylbenzoic acid?
The canonical SMILES for 2-(2-hydroxy-N-methylanilino)-4-phenylbenzoic acid is CN(c1ccccc1O)c1cc(-c2ccccc2)ccc1C(=O)O.
What is the InChIKey of 2-(2-hydroxy-N-methylanilino)-4-phenylbenzoic acid?
The InChIKey is BZBKFPCWBYMZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-21(17-9-5-6-10-19(17)22)18-13-15(11-12-16(18)20(23)24)14-7-3-2-4-8-14/h2-13,22H,1H3,(H,23,24).
What are the key properties of 2-(2-hydroxy-N-methylanilino)-4-phenylbenzoic acid?
2-(2-hydroxy-N-methylanilino)-4-phenylbenzoic acid has a molecular weight of 319.36 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-N-methylanilino)-4-phenylbenzoic acid is sourced from PubChem (CID 67462005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).