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

C14H12Cl2N2O2 — CID 135567955

IUPAC4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cc(Cl)cc(/C=N/Nc2ccc(Cl)cc2)c1O
InChIInChI=1S/C14H12Cl2N2O2/c1-20-13-7-11(16)6-9(14(13)19)8-17-18-12-4-2-10(15)3-5-12/h2-8,18-19H,1H3/b17-8+
InChIKeyUDJCXDDETFOOBF-CAOOACKPSA-N
MW311.17 g/mol
LogP4.15
Rot. Bonds4

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

4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol (PubChem CID 135567955) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
PubChem CID135567955
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cc(Cl)cc(/C=N/Nc2ccc(Cl)cc2)c1O
InChIInChI=1S/C14H12Cl2N2O2/c1-20-13-7-11(16)6-9(14(13)19)8-17-18-12-4-2-10(15)3-5-12/h2-8,18-19H,1H3/b17-8+
InChIKeyUDJCXDDETFOOBF-CAOOACKPSA-N
XLogP4.15
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

4-bromo-2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 136704655
2-methoxy-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol
CID 169382296
4-chloro-N-[1-[2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3381035
N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135541715
N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 136661357
2-methoxy-6-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136853943
4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol;hydrochloride
CID 135760746
2,4-dichloro-6-[(E)-[(4-sulfanylphenyl)hydrazinylidene]methyl]phenol
CID 143199865
N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodobenzamide
CID 135533719
2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxy-4-nitrophenol
CID 136704644
2-methoxy-4-nitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 136733461
2-methoxy-6-[(E)-[(1-methylpyridin-1-ium-4-yl)hydrazinylidene]methyl]phenol
CID 137279180

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol?
The IUPAC name of 4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol (CID 135567955) is 4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol.
What is the SMILES notation for 4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol?
The canonical SMILES for 4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol is COc1cc(Cl)cc(/C=N/Nc2ccc(Cl)cc2)c1O.
What is the InChIKey of 4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol?
The InChIKey is UDJCXDDETFOOBF-CAOOACKPSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-20-13-7-11(16)6-9(14(13)19)8-17-18-12-4-2-10(15)3-5-12/h2-8,18-19H,1H3/b17-8+.
What are the key properties of 4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol?
4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol has a molecular weight of 311.17 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol is sourced from PubChem (CID 135567955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).