3-[(4-ethenylphenyl)methylideneamino]-2-hydroxybenzoic acid

C16H13NO3 — CID 59042085

IUPAC3-[(4-ethenylphenyl)methylideneamino]-2-hydroxybenzoic acid
SMILESC=Cc1ccc(/C=N/c2cccc(C(=O)O)c2O)cc1
InChIInChI=1S/C16H13NO3/c1-2-11-6-8-12(9-7-11)10-17-14-5-3-4-13(15(14)18)16(19)20/h2-10,18H,1H2,(H,19,20)/b17-10+
InChIKeyLDXDDMSGEWRHHE-LICLKQGHSA-N
MW267.28 g/mol
LogP3.48
Rot. Bonds4

About 3-[(4-ethenylphenyl)methylideneamino]-2-hydroxybenzoic acid

3-[(4-ethenylphenyl)methylideneamino]-2-hydroxybenzoic acid (PubChem CID 59042085) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[(4-ethenylphenyl)methylideneamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(4-ethenylphenyl)methylideneamino]-2-hydroxybenzoic acid
PubChem CID59042085
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name3-[(4-ethenylphenyl)methylideneamino]-2-hydroxybenzoic acid
SMILESC=Cc1ccc(/C=N/c2cccc(C(=O)O)c2O)cc1
InChIInChI=1S/C16H13NO3/c1-2-11-6-8-12(9-7-11)10-17-14-5-3-4-13(15(14)18)16(19)20/h2-10,18H,1H2,(H,19,20)/b17-10+
InChIKeyLDXDDMSGEWRHHE-LICLKQGHSA-N
XLogP3.48
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethenylphenyl)methylideneamino]-2-hydroxybenzoic acid?
The IUPAC name of 3-[(4-ethenylphenyl)methylideneamino]-2-hydroxybenzoic acid (CID 59042085) is 3-[(4-ethenylphenyl)methylideneamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 3-[(4-ethenylphenyl)methylideneamino]-2-hydroxybenzoic acid?
The canonical SMILES for 3-[(4-ethenylphenyl)methylideneamino]-2-hydroxybenzoic acid is C=Cc1ccc(/C=N/c2cccc(C(=O)O)c2O)cc1.
What is the InChIKey of 3-[(4-ethenylphenyl)methylideneamino]-2-hydroxybenzoic acid?
The InChIKey is LDXDDMSGEWRHHE-LICLKQGHSA-N. The full InChI is InChI=1S/C16H13NO3/c1-2-11-6-8-12(9-7-11)10-17-14-5-3-4-13(15(14)18)16(19)20/h2-10,18H,1H2,(H,19,20)/b17-10+.
What are the key properties of 3-[(4-ethenylphenyl)methylideneamino]-2-hydroxybenzoic acid?
3-[(4-ethenylphenyl)methylideneamino]-2-hydroxybenzoic acid has a molecular weight of 267.28 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethenylphenyl)methylideneamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 59042085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).