3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoic acid

C15H13NO4 — CID 918686

IUPAC3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoic acid
SMILESCOc1cccc(/C=N/c2cccc(C(=O)O)c2)c1O
InChIInChI=1S/C15H13NO4/c1-20-13-7-3-5-11(14(13)17)9-16-12-6-2-4-10(8-12)15(18)19/h2-9,17H,1H3,(H,18,19)/b16-9+
InChIKeyFCGNZCXCFZVBCJ-CXUHLZMHSA-N
MW271.27 g/mol
LogP2.85
Rot. Bonds4

About 3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoic acid

3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoic acid (PubChem CID 918686) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoic acid.

Molecular Properties

Compound Name3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoic acid
PubChem CID918686
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoic acid
SMILESCOc1cccc(/C=N/c2cccc(C(=O)O)c2)c1O
InChIInChI=1S/C15H13NO4/c1-20-13-7-3-5-11(14(13)17)9-16-12-6-2-4-10(8-12)15(18)19/h2-9,17H,1H3,(H,18,19)/b16-9+
InChIKeyFCGNZCXCFZVBCJ-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoic acid?
The IUPAC name of 3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoic acid (CID 918686) is 3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoic acid.
What is the SMILES notation for 3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoic acid?
The canonical SMILES for 3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoic acid is COc1cccc(/C=N/c2cccc(C(=O)O)c2)c1O.
What is the InChIKey of 3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoic acid?
The InChIKey is FCGNZCXCFZVBCJ-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H13NO4/c1-20-13-7-3-5-11(14(13)17)9-16-12-6-2-4-10(8-12)15(18)19/h2-9,17H,1H3,(H,18,19)/b16-9+.
What are the key properties of 3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoic acid?
3-[(2-hydroxy-3-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 3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoic acid is sourced from PubChem (CID 918686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).