4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate

C15H13N2O3- — CID 7824518

IUPAC4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate
SMILESCOc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1
InChIInChI=1S/C15H14N2O3/c1-20-14-8-2-11(3-9-14)10-16-17-13-6-4-12(5-7-13)15(18)19/h2-10,17H,1H3,(H,18,19)/p-1
InChIKeyXASZGQGECHWCOV-UHFFFAOYSA-M
MW269.28 g/mol
LogP1.50
Rot. Bonds5

About 4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate

4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate (PubChem CID 7824518) has the molecular formula C15H13N2O3- and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate
PubChem CID7824518
Molecular FormulaC15H13N2O3-
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate
SMILESCOc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1
InChIInChI=1S/C15H14N2O3/c1-20-14-8-2-11(3-9-14)10-16-17-13-6-4-12(5-7-13)15(18)19/h2-10,17H,1H3,(H,18,19)/p-1
InChIKeyXASZGQGECHWCOV-UHFFFAOYSA-M
XLogP1.50
TPSA73.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 135510327
2-chloro-5-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7415273
[4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenyl] 4-fluorobenzoate
CID 110509030
4-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzoate
CID 7066822
4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate
CID 7329457
4-[(2Z)-2-[[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]methylidene]hydrazinyl]benzoate
CID 7741451
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]-N,N-dimethylaniline
CID 21238347
2-hydroxy-5-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 50885253
4-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]benzoate
CID 7295893
N-[4-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]phenyl]-4-methylbenzenesulfonamide
CID 21237396
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
methyl 4-[[[4-[[(4-methoxycarbonylphenyl)methylideneamino]carbamoyl]phenyl]hydrazinylidene]methyl]benzoate
CID 4090499

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate?
The IUPAC name of 4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate (CID 7824518) is 4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate.
What is the SMILES notation for 4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate?
The canonical SMILES for 4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate is COc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1.
What is the InChIKey of 4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate?
The InChIKey is XASZGQGECHWCOV-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H14N2O3/c1-20-14-8-2-11(3-9-14)10-16-17-13-6-4-12(5-7-13)15(18)19/h2-10,17H,1H3,(H,18,19)/p-1.
What are the key properties of 4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate?
4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate has a molecular weight of 269.28 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate is sourced from PubChem (CID 7824518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).