3-[(2-hydroxy-5-methylphenyl)carbamoyl]benzoic acid

C15H13NO4 — CID 75465271

IUPAC3-[(2-hydroxy-5-methylphenyl)carbamoyl]benzoic acid
SMILESCc1ccc(O)c(NC(=O)c2cccc(C(=O)O)c2)c1
InChIInChI=1S/C15H13NO4/c1-9-5-6-13(17)12(7-9)16-14(18)10-3-2-4-11(8-10)15(19)20/h2-8,17H,1H3,(H,16,18)(H,19,20)
InChIKeyGWYOILHQOVKSAZ-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.65
Rot. Bonds3

About 3-[(2-hydroxy-5-methylphenyl)carbamoyl]benzoic acid

3-[(2-hydroxy-5-methylphenyl)carbamoyl]benzoic acid (PubChem CID 75465271) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 3-[(2-hydroxy-5-methylphenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(2-hydroxy-5-methylphenyl)carbamoyl]benzoic acid
PubChem CID75465271
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name3-[(2-hydroxy-5-methylphenyl)carbamoyl]benzoic acid
SMILESCc1ccc(O)c(NC(=O)c2cccc(C(=O)O)c2)c1
InChIInChI=1S/C15H13NO4/c1-9-5-6-13(17)12(7-9)16-14(18)10-3-2-4-11(8-10)15(19)20/h2-8,17H,1H3,(H,16,18)(H,19,20)
InChIKeyGWYOILHQOVKSAZ-UHFFFAOYSA-N
XLogP2.65
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.65
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

3-[(2-fluoro-5-methylphenyl)carbamoyl]benzoic acid
CID 43452946
N-[2-hydroxy-5-[4-hydroxy-3-[(3-methylbenzoyl)amino]benzoyl]phenyl]-3-methylbenzamide
CID 139492461
N-[2-hydroxy-5-[4-hydroxy-3-[(3-methylbenzoyl)amino]anilino]phenyl]-3-methylbenzamide
CID 139492464
5-[[3,5-bis[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]methyl]-1-N,3-N-bis(2-hydroxy-5-methylphenyl)benzene-1,3-dicarboxamide
CID 16753383
4-hydroxy-3-[(3-methylbenzoyl)amino]benzamide
CID 70334005
1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide
CID 4179240
3-amino-N-(2-hydroxy-5-methylphenyl)-4-methylbenzamide
CID 29262487
2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid
CID 24700759
3-N-(2-hydroxy-4-methylphenyl)benzene-1,3-dicarboxamide
CID 30828617
3-[(3-bromo-4-methylbenzoyl)amino]-4-hydroxybenzoic acid
CID 107264705
3-[(4-fluoro-2-methylphenyl)carbamoyl]benzoic acid
CID 43452888
3-fluoro-N-(2-hydroxy-4-methylphenyl)benzamide
CID 2112106

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-5-methylphenyl)carbamoyl]benzoic acid?
The IUPAC name of 3-[(2-hydroxy-5-methylphenyl)carbamoyl]benzoic acid (CID 75465271) is 3-[(2-hydroxy-5-methylphenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 3-[(2-hydroxy-5-methylphenyl)carbamoyl]benzoic acid?
The canonical SMILES for 3-[(2-hydroxy-5-methylphenyl)carbamoyl]benzoic acid is Cc1ccc(O)c(NC(=O)c2cccc(C(=O)O)c2)c1.
What is the InChIKey of 3-[(2-hydroxy-5-methylphenyl)carbamoyl]benzoic acid?
The InChIKey is GWYOILHQOVKSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-9-5-6-13(17)12(7-9)16-14(18)10-3-2-4-11(8-10)15(19)20/h2-8,17H,1H3,(H,16,18)(H,19,20).
What are the key properties of 3-[(2-hydroxy-5-methylphenyl)carbamoyl]benzoic acid?
3-[(2-hydroxy-5-methylphenyl)carbamoyl]benzoic acid has a molecular weight of 271.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-5-methylphenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 75465271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).