2-chloro-4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol

C14H12Cl2N2O2 — CID 136712103

IUPAC2-chloro-4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol
SMILESCOc1ccc(N/N=C/c2ccc(O)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H12Cl2N2O2/c1-20-14-5-3-10(7-12(14)16)18-17-8-9-2-4-13(19)11(15)6-9/h2-8,18-19H,1H3/b17-8+
InChIKeyFGDJAKRTNXFLHT-CAOOACKPSA-N
MW311.17 g/mol
LogP4.15
Rot. Bonds4

About 2-chloro-4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol

2-chloro-4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol (PubChem CID 136712103) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 2-chloro-4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol
PubChem CID136712103
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name2-chloro-4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol
SMILESCOc1ccc(N/N=C/c2ccc(O)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H12Cl2N2O2/c1-20-14-5-3-10(7-12(14)16)18-17-8-9-2-4-13(19)11(15)6-9/h2-8,18-19H,1H3/b17-8+
InChIKeyFGDJAKRTNXFLHT-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_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

4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 136712094
3-chloro-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110505280
3-chloro-N-[(E)-(3-chloro-4-nonoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110505261
3-chloro-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4-methoxyaniline
CID 110505397
2-methoxy-4-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136853833
5-[(Z)-[(2-chlorophenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 8002358
2-chloro-4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 136704824
3-chloro-N-[(E)-ethylideneamino]-4-methoxyaniline;ethane
CID 143225818
N-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 136873554
2-chloro-4-[(Z)-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 136781777
3-chloro-4-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]aniline
CID 110505388
3-chloro-N-[(E)-(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-4-methylaniline
CID 110506541

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-chloro-4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol (CID 136712103) is 2-chloro-4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-chloro-4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol is COc1ccc(N/N=C/c2ccc(O)c(Cl)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol?
The InChIKey is FGDJAKRTNXFLHT-CAOOACKPSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-20-14-5-3-10(7-12(14)16)18-17-8-9-2-4-13(19)11(15)6-9/h2-8,18-19H,1H3/b17-8+.
What are the key properties of 2-chloro-4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol?
2-chloro-4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol 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 2-chloro-4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136712103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).