[2-methoxy-4-[[(4-methylphenyl)hydrazinylidene]methyl]phenyl] benzoate

C22H20N2O3 — CID 110840980

IUPAC[2-methoxy-4-[[(4-methylphenyl)hydrazinylidene]methyl]phenyl] benzoate
SMILESCOc1cc(C=NNc2ccc(C)cc2)ccc1OC(=O)c1ccccc1
InChIInChI=1S/C22H20N2O3/c1-16-8-11-19(12-9-16)24-23-15-17-10-13-20(21(14-17)26-2)27-22(25)18-6-4-3-5-7-18/h3-15,24H,1-2H3
InChIKeyQNYMPYPTFFYLJV-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.67
Rot. Bonds6

About [2-methoxy-4-[[(4-methylphenyl)hydrazinylidene]methyl]phenyl] benzoate

[2-methoxy-4-[[(4-methylphenyl)hydrazinylidene]methyl]phenyl] benzoate (PubChem CID 110840980) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is [2-methoxy-4-[[(4-methylphenyl)hydrazinylidene]methyl]phenyl] benzoate.

Molecular Properties

Compound Name[2-methoxy-4-[[(4-methylphenyl)hydrazinylidene]methyl]phenyl] benzoate
PubChem CID110840980
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name[2-methoxy-4-[[(4-methylphenyl)hydrazinylidene]methyl]phenyl] benzoate
SMILESCOc1cc(C=NNc2ccc(C)cc2)ccc1OC(=O)c1ccccc1
InChIInChI=1S/C22H20N2O3/c1-16-8-11-19(12-9-16)24-23-15-17-10-13-20(21(14-17)26-2)27-22(25)18-6-4-3-5-7-18/h3-15,24H,1-2H3
InChIKeyQNYMPYPTFFYLJV-UHFFFAOYSA-N
XLogP4.67
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.67
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'}

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Related Compounds

[2-methoxy-4-[(E)-(phenylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 110340983
[4-[(E)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 50870157
[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] naphthalene-2-carboxylate
CID 20982245
[4-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 51060495
[4-[[(3-benzamidobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 126226042
[4-[(ethylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] benzoate
CID 4091558
[4-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] benzoate
CID 6007667
[2-methoxy-4-[[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 3352220
[4-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-methylbenzoate
CID 5218934
[4-[(Z)-[(3,5-dihydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 26871357
[2-methoxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 1002031
[2-methoxy-4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 4248850

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[[(4-methylphenyl)hydrazinylidene]methyl]phenyl] benzoate?
The IUPAC name of [2-methoxy-4-[[(4-methylphenyl)hydrazinylidene]methyl]phenyl] benzoate (CID 110840980) is [2-methoxy-4-[[(4-methylphenyl)hydrazinylidene]methyl]phenyl] benzoate.
What is the SMILES notation for [2-methoxy-4-[[(4-methylphenyl)hydrazinylidene]methyl]phenyl] benzoate?
The canonical SMILES for [2-methoxy-4-[[(4-methylphenyl)hydrazinylidene]methyl]phenyl] benzoate is COc1cc(C=NNc2ccc(C)cc2)ccc1OC(=O)c1ccccc1.
What is the InChIKey of [2-methoxy-4-[[(4-methylphenyl)hydrazinylidene]methyl]phenyl] benzoate?
The InChIKey is QNYMPYPTFFYLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-16-8-11-19(12-9-16)24-23-15-17-10-13-20(21(14-17)26-2)27-22(25)18-6-4-3-5-7-18/h3-15,24H,1-2H3.
What are the key properties of [2-methoxy-4-[[(4-methylphenyl)hydrazinylidene]methyl]phenyl] benzoate?
[2-methoxy-4-[[(4-methylphenyl)hydrazinylidene]methyl]phenyl] benzoate has a molecular weight of 360.41 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[[(4-methylphenyl)hydrazinylidene]methyl]phenyl] benzoate is sourced from PubChem (CID 110840980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).