4-chloro-2-[[(4-methylphenyl)hydrazinylidene]methyl]-6-nitrophenol

C14H12ClN3O3 — CID 4195262

IUPAC4-chloro-2-[[(4-methylphenyl)hydrazinylidene]methyl]-6-nitrophenol
SMILESCc1ccc(NN=Cc2cc(Cl)cc([N+](=O)[O-])c2O)cc1
InChIInChI=1S/C14H12ClN3O3/c1-9-2-4-12(5-3-9)17-16-8-10-6-11(15)7-13(14(10)19)18(20)21/h2-8,17,19H,1H3
InChIKeyLSKIPDCOWODHKA-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.71
Rot. Bonds4

About 4-chloro-2-[[(4-methylphenyl)hydrazinylidene]methyl]-6-nitrophenol

4-chloro-2-[[(4-methylphenyl)hydrazinylidene]methyl]-6-nitrophenol (PubChem CID 4195262) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 4-chloro-2-[[(4-methylphenyl)hydrazinylidene]methyl]-6-nitrophenol.

Molecular Properties

Compound Name4-chloro-2-[[(4-methylphenyl)hydrazinylidene]methyl]-6-nitrophenol
PubChem CID4195262
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name4-chloro-2-[[(4-methylphenyl)hydrazinylidene]methyl]-6-nitrophenol
SMILESCc1ccc(NN=Cc2cc(Cl)cc([N+](=O)[O-])c2O)cc1
InChIInChI=1S/C14H12ClN3O3/c1-9-2-4-12(5-3-9)17-16-8-10-6-11(15)7-13(14(10)19)18(20)21/h2-8,17,19H,1H3
InChIKeyLSKIPDCOWODHKA-UHFFFAOYSA-N
XLogP3.71
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-2-[[(4-methylphenyl)hydrazinylidene]methyl]-6-nitrophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol;hydrochloride
CID 135760746
4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol
CID 4071998
4-chloro-2-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol
CID 135615920
1-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-3-ethylthiourea
CID 135683723
2,4-dinitro-6-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 136886764
ethyl N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]carbamate
CID 4266436
4-chloro-2-nitro-6-[[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 3298245
N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2,4-dimethylphenoxy)acetamide
CID 135644079
N-[3-[[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide
CID 136868853
1-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 135688283
3-chloro-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135784566
1-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-3-(4-ethoxyphenyl)thiourea
CID 135796396

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[(4-methylphenyl)hydrazinylidene]methyl]-6-nitrophenol?
The IUPAC name of 4-chloro-2-[[(4-methylphenyl)hydrazinylidene]methyl]-6-nitrophenol (CID 4195262) is 4-chloro-2-[[(4-methylphenyl)hydrazinylidene]methyl]-6-nitrophenol.
What is the SMILES notation for 4-chloro-2-[[(4-methylphenyl)hydrazinylidene]methyl]-6-nitrophenol?
The canonical SMILES for 4-chloro-2-[[(4-methylphenyl)hydrazinylidene]methyl]-6-nitrophenol is Cc1ccc(NN=Cc2cc(Cl)cc([N+](=O)[O-])c2O)cc1.
What is the InChIKey of 4-chloro-2-[[(4-methylphenyl)hydrazinylidene]methyl]-6-nitrophenol?
The InChIKey is LSKIPDCOWODHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-9-2-4-12(5-3-9)17-16-8-10-6-11(15)7-13(14(10)19)18(20)21/h2-8,17,19H,1H3.
What are the key properties of 4-chloro-2-[[(4-methylphenyl)hydrazinylidene]methyl]-6-nitrophenol?
4-chloro-2-[[(4-methylphenyl)hydrazinylidene]methyl]-6-nitrophenol has a molecular weight of 305.72 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[(4-methylphenyl)hydrazinylidene]methyl]-6-nitrophenol is sourced from PubChem (CID 4195262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).