4-(3-hydroxyphenyl)-2-(2-methylanilino)benzoic acid

C20H17NO3 — CID 68962733

IUPAC4-(3-hydroxyphenyl)-2-(2-methylanilino)benzoic acid
SMILESCc1ccccc1Nc1cc(-c2cccc(O)c2)ccc1C(=O)O
InChIInChI=1S/C20H17NO3/c1-13-5-2-3-8-18(13)21-19-12-15(9-10-17(19)20(23)24)14-6-4-7-16(22)11-14/h2-12,21-22H,1H3,(H,23,24)
InChIKeyFLNJSXQFYFYOHW-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.81
Rot. Bonds4

About 4-(3-hydroxyphenyl)-2-(2-methylanilino)benzoic acid

4-(3-hydroxyphenyl)-2-(2-methylanilino)benzoic acid (PubChem CID 68962733) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-2-(2-methylanilino)benzoic acid.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-2-(2-methylanilino)benzoic acid
PubChem CID68962733
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name4-(3-hydroxyphenyl)-2-(2-methylanilino)benzoic acid
SMILESCc1ccccc1Nc1cc(-c2cccc(O)c2)ccc1C(=O)O
InChIInChI=1S/C20H17NO3/c1-13-5-2-3-8-18(13)21-19-12-15(9-10-17(19)20(23)24)14-6-4-7-16(22)11-14/h2-12,21-22H,1H3,(H,23,24)
InChIKeyFLNJSXQFYFYOHW-UHFFFAOYSA-N
XLogP4.81
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyanilino)-4-phenylbenzoic acid
CID 68960538
2-(2-fluoroanilino)-4-phenylbenzoic acid
CID 68958907
2-(2-methylanilino)-4-(2-phenylethyl)benzoic acid
CID 68963998
2-(4-acetylanilino)-4-phenylbenzoic acid
CID 68960140
2-(2-nitroanilino)-4-phenylbenzoic acid
CID 68959849
2-[4-(3,5-dibromophenyl)-2-methylanilino]benzoic acid
CID 22269850
4-chloro-2-(2,6-dimethylanilino)benzoic acid
CID 14550445
2-(isoquinolin-5-ylamino)-4-phenylbenzoic acid
CID 68958440
4-(2,3-dimethylanilino)thiophene-3-carboxylic acid
CID 151566015
CID 10739949
CID 10739949
2-[(3-methylpyridine-2-carbonyl)amino]-4-phenylbenzoic acid
CID 67343058
ethane;1-N-methyl-2-N-(2-methyl-5-phenylphenyl)benzene-1,2-diamine
CID 143291744

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-2-(2-methylanilino)benzoic acid?
The IUPAC name of 4-(3-hydroxyphenyl)-2-(2-methylanilino)benzoic acid (CID 68962733) is 4-(3-hydroxyphenyl)-2-(2-methylanilino)benzoic acid.
What is the SMILES notation for 4-(3-hydroxyphenyl)-2-(2-methylanilino)benzoic acid?
The canonical SMILES for 4-(3-hydroxyphenyl)-2-(2-methylanilino)benzoic acid is Cc1ccccc1Nc1cc(-c2cccc(O)c2)ccc1C(=O)O.
What is the InChIKey of 4-(3-hydroxyphenyl)-2-(2-methylanilino)benzoic acid?
The InChIKey is FLNJSXQFYFYOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-13-5-2-3-8-18(13)21-19-12-15(9-10-17(19)20(23)24)14-6-4-7-16(22)11-14/h2-12,21-22H,1H3,(H,23,24).
What are the key properties of 4-(3-hydroxyphenyl)-2-(2-methylanilino)benzoic acid?
4-(3-hydroxyphenyl)-2-(2-methylanilino)benzoic acid has a molecular weight of 319.36 g/mol, XLogP of 4.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-2-(2-methylanilino)benzoic acid is sourced from PubChem (CID 68962733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).