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

C15H14N2O4 — CID 50885253

IUPAC2-hydroxy-5-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoic acid
SMILESCOc1ccc(C=NNc2ccc(O)c(C(=O)O)c2)cc1
InChIInChI=1S/C15H14N2O4/c1-21-12-5-2-10(3-6-12)9-16-17-11-4-7-14(18)13(8-11)15(19)20/h2-9,17-18H,1H3,(H,19,20)
InChIKeyGXHHHUASNCUURF-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.55
Rot. Bonds5

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

2-hydroxy-5-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoic acid (PubChem CID 50885253) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-hydroxy-5-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoic acid
PubChem CID50885253
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-hydroxy-5-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoic acid
SMILESCOc1ccc(C=NNc2ccc(O)c(C(=O)O)c2)cc1
InChIInChI=1S/C15H14N2O4/c1-21-12-5-2-10(3-6-12)9-16-17-11-4-7-14(18)13(8-11)15(19)20/h2-9,17-18H,1H3,(H,19,20)
InChIKeyGXHHHUASNCUURF-UHFFFAOYSA-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': 'hydroquinone', '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

2-chloro-5-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7415273
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 135510327
4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7824518
3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline
CID 110840444
3-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 110509088
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
2-hydroxy-5-[(E)-methoxyiminomethyl]benzoic acid
CID 135598743
N-[(4-methoxyphenyl)methylideneamino]-3-nitroaniline
CID 3290260
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]-N,N-dimethylaniline
CID 21238347
2-hydroxy-5-[2-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]benzoic acid
CID 50885197
N-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5065376
[4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenyl] 4-fluorobenzoate
CID 110509030

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoic acid (CID 50885253) is 2-hydroxy-5-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoic acid is COc1ccc(C=NNc2ccc(O)c(C(=O)O)c2)cc1.
What is the InChIKey of 2-hydroxy-5-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoic acid?
The InChIKey is GXHHHUASNCUURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-21-12-5-2-10(3-6-12)9-16-17-11-4-7-14(18)13(8-11)15(19)20/h2-9,17-18H,1H3,(H,19,20).
What are the key properties of 2-hydroxy-5-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoic acid?
2-hydroxy-5-[2-[(4-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-hydroxy-5-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 50885253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).