2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid

C15H14N2O4 — CID 135683923

IUPAC2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid
SMILESCOc1cccc(/C=N/Nc2ccccc2C(=O)O)c1O
InChIInChI=1S/C15H14N2O4/c1-21-13-8-4-5-10(14(13)18)9-16-17-12-7-3-2-6-11(12)15(19)20/h2-9,17-18H,1H3,(H,19,20)/b16-9+
InChIKeyFQBRUNFXUVATIF-CXUHLZMHSA-N
MW286.29 g/mol
LogP2.55
Rot. Bonds5

About 2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid

2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid (PubChem CID 135683923) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid
PubChem CID135683923
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid
SMILESCOc1cccc(/C=N/Nc2ccccc2C(=O)O)c1O
InChIInChI=1S/C15H14N2O4/c1-21-13-8-4-5-10(14(13)18)9-16-17-12-7-3-2-6-11(12)15(19)20/h2-9,17-18H,1H3,(H,19,20)/b16-9+
InChIKeyFQBRUNFXUVATIF-CXUHLZMHSA-N
XLogP2.55
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_acid_A(19)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2E)-2-(4-hydroxy-3-methoxybenzylidene)hydrazino]benzoic acid
CID 135412138
3-[(2E)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]benzoic acid
CID 9609760
2-[(2E)-2-(4-methoxybenzylidene)hydrazino]benzoic acid
CID 9623738
4-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]benzoic acid
CID 9633163
4-[(2E)-2-(2,3,4-trimethoxybenzylidene)hydrazino]benzoic acid
CID 9635364
3-[(2E)-2-[(4-Benzoyloxy-3-ethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 9653493
4-[(2E)-2-(2-hydroxy-3-methoxybenzylidene)hydrazino]benzoic acid
CID 135472810
N'-(2-Hydroxy-3-methoxybenzylidene)-4-nitrobenzohydrazide
CID 135648354
Benzoic acid, 2-[[(4-hydroxy-3-methoxyphenyl)methylene]amino]-, methyl ester
CID 166354
Methyl nzenesulfonohydrazide
CID 135433317
N-Veratrylideneanthranilic acid
CID 347003
alpha-(3-Carboxyphenylimino)-6-methoxy-O-cresol
CID 918686

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid (CID 135683923) is 2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid is COc1cccc(/C=N/Nc2ccccc2C(=O)O)c1O.
What is the InChIKey of 2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid?
The InChIKey is FQBRUNFXUVATIF-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-21-13-8-4-5-10(14(13)18)9-16-17-12-7-3-2-6-11(12)15(19)20/h2-9,17-18H,1H3,(H,19,20)/b16-9+.
What are the key properties of 2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid?
2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid has a molecular weight of 286.29 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 135683923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).