[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] cyclohexanecarboxylate

C21H24N2O3 — CID 169383112

IUPAC[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] cyclohexanecarboxylate
SMILESCOc1cc(C=NNc2ccccc2)ccc1OC(=O)C1CCCCC1
InChIInChI=1S/C21H24N2O3/c1-25-20-14-16(15-22-23-18-10-6-3-7-11-18)12-13-19(20)26-21(24)17-8-4-2-5-9-17/h3,6-7,10-15,17,23H,2,4-5,8-9H2,1H3
InChIKeyIRCMLSWLNFBEKS-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.63
Rot. Bonds6

About [2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] cyclohexanecarboxylate

[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] cyclohexanecarboxylate (PubChem CID 169383112) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is [2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] cyclohexanecarboxylate
PubChem CID169383112
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] cyclohexanecarboxylate
SMILESCOc1cc(C=NNc2ccccc2)ccc1OC(=O)C1CCCCC1
InChIInChI=1S/C21H24N2O3/c1-25-20-14-16(15-22-23-18-10-6-3-7-11-18)12-13-19(20)26-21(24)17-8-4-2-5-9-17/h3,6-7,10-15,17,23H,2,4-5,8-9H2,1H3
InChIKeyIRCMLSWLNFBEKS-UHFFFAOYSA-N
XLogP4.63
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.63
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] cyclohexanecarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-formyl-2-methoxyphenyl) cyclohexanecarboxylate
CID 4504529
[4-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 9234824
[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] naphthalene-2-carboxylate
CID 20982245
[4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 9013763
[2-methoxy-4-[(E)-(phenylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 110340983
[2-methoxy-4-[[(4-methylphenyl)hydrazinylidene]methyl]phenyl] benzoate
CID 110840980
[4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] acetate
CID 5419986
[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 129440523
[2-methoxy-4-[(Z)-[[(1R,2R)-2-methylcyclohexyl]carbamothioylhydrazinylidene]methyl]phenyl] cyclopropanecarboxylate
CID 9122345
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline
CID 6073337
[2-methoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] cyclopropanecarboxylate
CID 9015267
N-[(3-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
CID 169382646

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] cyclohexanecarboxylate?
The IUPAC name of [2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] cyclohexanecarboxylate (CID 169383112) is [2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] cyclohexanecarboxylate.
What is the SMILES notation for [2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] cyclohexanecarboxylate?
The canonical SMILES for [2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] cyclohexanecarboxylate is COc1cc(C=NNc2ccccc2)ccc1OC(=O)C1CCCCC1.
What is the InChIKey of [2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] cyclohexanecarboxylate?
The InChIKey is IRCMLSWLNFBEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-25-20-14-16(15-22-23-18-10-6-3-7-11-18)12-13-19(20)26-21(24)17-8-4-2-5-9-17/h3,6-7,10-15,17,23H,2,4-5,8-9H2,1H3.
What are the key properties of [2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] cyclohexanecarboxylate?
[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] cyclohexanecarboxylate has a molecular weight of 352.43 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] cyclohexanecarboxylate is sourced from PubChem (CID 169383112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).