2-chloro-4-[(E)-(diphenylhydrazinylidene)methyl]-6-methoxyphenol

C20H17ClN2O2 — CID 135755057

IUPAC2-chloro-4-[(E)-(diphenylhydrazinylidene)methyl]-6-methoxyphenol
SMILESCOc1cc(/C=N/N(c2ccccc2)c2ccccc2)cc(Cl)c1O
InChIInChI=1S/C20H17ClN2O2/c1-25-19-13-15(12-18(21)20(19)24)14-22-23(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,24H,1H3/b22-14+
InChIKeyOHUKGLPVCFHAON-HYARGMPZSA-N
MW352.82 g/mol
LogP5.23
Rot. Bonds5

About 2-chloro-4-[(E)-(diphenylhydrazinylidene)methyl]-6-methoxyphenol

2-chloro-4-[(E)-(diphenylhydrazinylidene)methyl]-6-methoxyphenol (PubChem CID 135755057) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 2-chloro-4-[(E)-(diphenylhydrazinylidene)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-chloro-4-[(E)-(diphenylhydrazinylidene)methyl]-6-methoxyphenol
PubChem CID135755057
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name2-chloro-4-[(E)-(diphenylhydrazinylidene)methyl]-6-methoxyphenol
SMILESCOc1cc(/C=N/N(c2ccccc2)c2ccccc2)cc(Cl)c1O
InChIInChI=1S/C20H17ClN2O2/c1-25-19-13-15(12-18(21)20(19)24)14-22-23(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,24H,1H3/b22-14+
InChIKeyOHUKGLPVCFHAON-HYARGMPZSA-N
XLogP5.23
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.82
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

2,6-dimethoxy-4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol
CID 135779670
2-chloro-4-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 135622259
N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 136661481
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-N-phenylaniline
CID 4065737
N-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 135533720
N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 135782039
4-[(dimethylhydrazinylidene)methyl]-2,6-dimethoxyphenol
CID 2344023
4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-bromo-6-methoxyphenol
CID 3415919
4-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 3730319
N-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide
CID 136873641
2-chloro-4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 136704824
4-(3-aminoprop-1-enyl)-2-chloro-6-methoxyphenol
CID 169464704

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(E)-(diphenylhydrazinylidene)methyl]-6-methoxyphenol?
The IUPAC name of 2-chloro-4-[(E)-(diphenylhydrazinylidene)methyl]-6-methoxyphenol (CID 135755057) is 2-chloro-4-[(E)-(diphenylhydrazinylidene)methyl]-6-methoxyphenol.
What is the SMILES notation for 2-chloro-4-[(E)-(diphenylhydrazinylidene)methyl]-6-methoxyphenol?
The canonical SMILES for 2-chloro-4-[(E)-(diphenylhydrazinylidene)methyl]-6-methoxyphenol is COc1cc(/C=N/N(c2ccccc2)c2ccccc2)cc(Cl)c1O.
What is the InChIKey of 2-chloro-4-[(E)-(diphenylhydrazinylidene)methyl]-6-methoxyphenol?
The InChIKey is OHUKGLPVCFHAON-HYARGMPZSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-25-19-13-15(12-18(21)20(19)24)14-22-23(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,24H,1H3/b22-14+.
What are the key properties of 2-chloro-4-[(E)-(diphenylhydrazinylidene)methyl]-6-methoxyphenol?
2-chloro-4-[(E)-(diphenylhydrazinylidene)methyl]-6-methoxyphenol has a molecular weight of 352.82 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(E)-(diphenylhydrazinylidene)methyl]-6-methoxyphenol is sourced from PubChem (CID 135755057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).