4-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid

C15H14N2O4 — CID 135412138

IUPAC4-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid
SMILESCOc1cc(/C=N/Nc2ccc(C(=O)O)cc2)ccc1O
InChIInChI=1S/C15H14N2O4/c1-21-14-8-10(2-7-13(14)18)9-16-17-12-5-3-11(4-6-12)15(19)20/h2-9,17-18H,1H3,(H,19,20)/b16-9+
InChIKeyVZOQOZQXLIKTDA-CXUHLZMHSA-N
MW286.29 g/mol
LogP2.55
Rot. Bonds5

About 4-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid

4-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid (PubChem CID 135412138) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid
PubChem CID135412138
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name4-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid
SMILESCOc1cc(/C=N/Nc2ccc(C(=O)O)cc2)ccc1O
InChIInChI=1S/C15H14N2O4/c1-21-14-8-10(2-7-13(14)18)9-16-17-12-5-3-11(4-6-12)15(19)20/h2-9,17-18H,1H3,(H,19,20)/b16-9+
InChIKeyVZOQOZQXLIKTDA-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_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 4-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid (CID 135412138) is 4-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 4-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid is COc1cc(/C=N/Nc2ccc(C(=O)O)cc2)ccc1O.
What is the InChIKey of 4-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid?
The InChIKey is VZOQOZQXLIKTDA-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-21-14-8-10(2-7-13(14)18)9-16-17-12-5-3-11(4-6-12)15(19)20/h2-9,17-18H,1H3,(H,19,20)/b16-9+.
What are the key properties of 4-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid?
4-[(2E)-2-[(4-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 4-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 135412138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).