2-chloro-5-(hydroxymethyl)-4-[(4-methoxyphenyl)diazenyl]phenol

C14H13ClN2O3 — CID 176556614

IUPAC2-chloro-5-(hydroxymethyl)-4-[(4-methoxyphenyl)diazenyl]phenol
SMILESCOc1ccc(/N=N/c2cc(Cl)c(O)cc2CO)cc1
InChIInChI=1S/C14H13ClN2O3/c1-20-11-4-2-10(3-5-11)16-17-13-7-12(15)14(19)6-9(13)8-18/h2-7,18-19H,8H2,1H3/b17-16+
InChIKeyYATVKVSGLXKMGV-WUKNDPDISA-N
MW292.72 g/mol
LogP3.96
Rot. Bonds4

About 2-chloro-5-(hydroxymethyl)-4-[(4-methoxyphenyl)diazenyl]phenol

2-chloro-5-(hydroxymethyl)-4-[(4-methoxyphenyl)diazenyl]phenol (PubChem CID 176556614) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-chloro-5-(hydroxymethyl)-4-[(4-methoxyphenyl)diazenyl]phenol.

Molecular Properties

Compound Name2-chloro-5-(hydroxymethyl)-4-[(4-methoxyphenyl)diazenyl]phenol
PubChem CID176556614
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name2-chloro-5-(hydroxymethyl)-4-[(4-methoxyphenyl)diazenyl]phenol
SMILESCOc1ccc(/N=N/c2cc(Cl)c(O)cc2CO)cc1
InChIInChI=1S/C14H13ClN2O3/c1-20-11-4-2-10(3-5-11)16-17-13-7-12(15)14(19)6-9(13)8-18/h2-7,18-19H,8H2,1H3/b17-16+
InChIKeyYATVKVSGLXKMGV-WUKNDPDISA-N
XLogP3.96
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-chloro-5-(hydroxymethyl)-4-[(4-methoxyphenyl)diazenyl]phenol 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

3,4,6-trichloro-2-[(4-methoxyphenyl)diazenyl]phenol
CID 136695317
2-[(4-methoxyphenyl)diazenyl]naphthalene-1,5-diol
CID 137230625
4-[(4-ethoxyphenyl)diazenyl]-2-(hydroxymethyl)-6-methoxyphenol
CID 136794390
2-(hydroxymethyl)-4-[(3-methoxyphenyl)diazenyl]phenol
CID 136794349
2-bromo-4-[(4-methoxyphenyl)diazenyl]phenol
CID 137315131
3-chloro-4-[(2-fluoro-4-methoxyphenyl)diazenyl]-5-(hydroxymethyl)phenol
CID 176556613
4-[5-chloro-2-hydroxy-3-[(4-methoxyphenyl)diazenyl]phenyl]-2-methylidenebutanoic acid
CID 136506476
2-chloro-5-(hydroxymethyl)benzene-1,4-diol
CID 55253170
3,5-difluoro-4-[[2-(hydroxymethyl)-4-methoxyphenyl]diazenyl]phenol
CID 153368055
3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol
CID 86231691
4-[(3,4-dichlorophenyl)diazenyl]-2-(hydroxymethyl)phenol
CID 136794511
(4-methoxyphenyl)-methyldiazene
CID 20589170

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(hydroxymethyl)-4-[(4-methoxyphenyl)diazenyl]phenol?
The IUPAC name of 2-chloro-5-(hydroxymethyl)-4-[(4-methoxyphenyl)diazenyl]phenol (CID 176556614) is 2-chloro-5-(hydroxymethyl)-4-[(4-methoxyphenyl)diazenyl]phenol.
What is the SMILES notation for 2-chloro-5-(hydroxymethyl)-4-[(4-methoxyphenyl)diazenyl]phenol?
The canonical SMILES for 2-chloro-5-(hydroxymethyl)-4-[(4-methoxyphenyl)diazenyl]phenol is COc1ccc(/N=N/c2cc(Cl)c(O)cc2CO)cc1.
What is the InChIKey of 2-chloro-5-(hydroxymethyl)-4-[(4-methoxyphenyl)diazenyl]phenol?
The InChIKey is YATVKVSGLXKMGV-WUKNDPDISA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-20-11-4-2-10(3-5-11)16-17-13-7-12(15)14(19)6-9(13)8-18/h2-7,18-19H,8H2,1H3/b17-16+.
What are the key properties of 2-chloro-5-(hydroxymethyl)-4-[(4-methoxyphenyl)diazenyl]phenol?
2-chloro-5-(hydroxymethyl)-4-[(4-methoxyphenyl)diazenyl]phenol has a molecular weight of 292.72 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(hydroxymethyl)-4-[(4-methoxyphenyl)diazenyl]phenol is sourced from PubChem (CID 176556614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).