4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzoic acid

C15H13NO4 — CID 3614018

IUPAC4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzoic acid
SMILESCOc1ccc(O)c(/C=N/c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C15H13NO4/c1-20-13-6-7-14(17)11(8-13)9-16-12-4-2-10(3-5-12)15(18)19/h2-9,17H,1H3,(H,18,19)/b16-9+
InChIKeyQBUCOIMTCULYJT-CXUHLZMHSA-N
MW271.27 g/mol
LogP2.85
Rot. Bonds4

About 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzoic acid

4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzoic acid (PubChem CID 3614018) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzoic acid.

Molecular Properties

Compound Name4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzoic acid
PubChem CID3614018
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzoic acid
SMILESCOc1ccc(O)c(/C=N/c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C15H13NO4/c1-20-13-6-7-14(17)11(8-13)9-16-12-4-2-10(3-5-12)15(18)19/h2-9,17H,1H3,(H,18,19)/b16-9+
InChIKeyQBUCOIMTCULYJT-CXUHLZMHSA-N
XLogP2.85
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]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 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzoic acid?
The IUPAC name of 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzoic acid (CID 3614018) is 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzoic acid.
What is the SMILES notation for 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzoic acid?
The canonical SMILES for 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzoic acid is COc1ccc(O)c(/C=N/c2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzoic acid?
The InChIKey is QBUCOIMTCULYJT-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H13NO4/c1-20-13-6-7-14(17)11(8-13)9-16-12-4-2-10(3-5-12)15(18)19/h2-9,17H,1H3,(H,18,19)/b16-9+.
What are the key properties of 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzoic acid?
4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzoic acid has a molecular weight of 271.27 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzoic acid is sourced from PubChem (CID 3614018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).