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

C21H17NO4 — CID 974840

IUPAC2-[2-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]benzoic acid
SMILESCc1ccc(O)c(NC(=O)c2ccccc2-c2ccccc2C(=O)O)c1
InChIInChI=1S/C21H17NO4/c1-13-10-11-19(23)18(12-13)22-20(24)16-8-4-2-6-14(16)15-7-3-5-9-17(15)21(25)26/h2-12,23H,1H3,(H,22,24)(H,25,26)
InChIKeyCFIHGFAAWAKLBO-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.32
Rot. Bonds4

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

2-[2-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]benzoic acid (PubChem CID 974840) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-[2-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]benzoic acid
PubChem CID974840
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name2-[2-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]benzoic acid
SMILESCc1ccc(O)c(NC(=O)c2ccccc2-c2ccccc2C(=O)O)c1
InChIInChI=1S/C21H17NO4/c1-13-10-11-19(23)18(12-13)22-20(24)16-8-4-2-6-14(16)15-7-3-5-9-17(15)21(25)26/h2-12,23H,1H3,(H,22,24)(H,25,26)
InChIKeyCFIHGFAAWAKLBO-UHFFFAOYSA-N
XLogP4.32
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]benzoic acid?
The IUPAC name of 2-[2-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]benzoic acid (CID 974840) is 2-[2-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[2-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]benzoic acid?
The canonical SMILES for 2-[2-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]benzoic acid is Cc1ccc(O)c(NC(=O)c2ccccc2-c2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[2-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]benzoic acid?
The InChIKey is CFIHGFAAWAKLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4/c1-13-10-11-19(23)18(12-13)22-20(24)16-8-4-2-6-14(16)15-7-3-5-9-17(15)21(25)26/h2-12,23H,1H3,(H,22,24)(H,25,26).
What are the key properties of 2-[2-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]benzoic acid?
2-[2-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]benzoic acid has a molecular weight of 347.37 g/mol, XLogP of 4.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]benzoic acid is sourced from PubChem (CID 974840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).