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

C14H13ClN2O2 — CID 136712094

IUPAC4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol
SMILESCOc1ccc(N/N=C/c2ccc(O)cc2)cc1Cl
InChIInChI=1S/C14H13ClN2O2/c1-19-14-7-4-11(8-13(14)15)17-16-9-10-2-5-12(18)6-3-10/h2-9,17-18H,1H3/b16-9+
InChIKeyHZQMVACZFFNJCU-CXUHLZMHSA-N
MW276.72 g/mol
LogP3.50
Rot. Bonds4

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

4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol (PubChem CID 136712094) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol
PubChem CID136712094
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol
SMILESCOc1ccc(N/N=C/c2ccc(O)cc2)cc1Cl
InChIInChI=1S/C14H13ClN2O2/c1-19-14-7-4-11(8-13(14)15)17-16-9-10-2-5-12(18)6-3-10/h2-9,17-18H,1H3/b16-9+
InChIKeyHZQMVACZFFNJCU-CXUHLZMHSA-N
XLogP3.50
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.50
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

2-chloro-4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 136712103
3-chloro-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110505280
4-(3-chloro-4-methoxyanilino)phenol
CID 82537279
3-chloro-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4-methoxyaniline
CID 110505397
3-chloro-N-[(E)-ethylideneamino]-4-methoxyaniline;ethane
CID 143225818
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 135510327
3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline
CID 110840444
3-chloro-N-[(E)-(3-chloro-4-nonoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110505261
3-chloro-4-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]aniline
CID 110505388
2-chloro-4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 136704824
3,4-dichloro-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840463
4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride
CID 136666048

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol (CID 136712094) is 4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol is COc1ccc(N/N=C/c2ccc(O)cc2)cc1Cl.
What is the InChIKey of 4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol?
The InChIKey is HZQMVACZFFNJCU-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-19-14-7-4-11(8-13(14)15)17-16-9-10-2-5-12(18)6-3-10/h2-9,17-18H,1H3/b16-9+.
What are the key properties of 4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol?
4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol has a molecular weight of 276.72 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136712094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).