3-amino-2-chloro-6-methoxyphenol

C7H8ClNO2 — CID 45120120

IUPAC3-amino-2-chloro-6-methoxyphenol
SMILESCOc1ccc(N)c(Cl)c1O
InChIInChI=1S/C7H8ClNO2/c1-11-5-3-2-4(9)6(8)7(5)10/h2-3,10H,9H2,1H3
InChIKeyMOAOLFPDOYZANV-UHFFFAOYSA-N
MW173.60 g/mol
LogP1.64
Rot. Bonds1

About 3-amino-2-chloro-6-methoxyphenol

3-amino-2-chloro-6-methoxyphenol (PubChem CID 45120120) has the molecular formula C7H8ClNO2 and a molecular weight of 173.60 g/mol. Its IUPAC name is 3-amino-2-chloro-6-methoxyphenol.

Molecular Properties

Compound Name3-amino-2-chloro-6-methoxyphenol
PubChem CID45120120
Molecular FormulaC7H8ClNO2
Molecular Weight173.60 g/mol
Exact Mass173.02
IUPAC Name3-amino-2-chloro-6-methoxyphenol
SMILESCOc1ccc(N)c(Cl)c1O
InChIInChI=1S/C7H8ClNO2/c1-11-5-3-2-4(9)6(8)7(5)10/h2-3,10H,9H2,1H3
InChIKeyMOAOLFPDOYZANV-UHFFFAOYSA-N
XLogP1.64
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-2-chloro-6-methoxyphenol 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-chloro-4-methoxybenzene-1,2-diamine
CID 122129593
1-(6-amino-2-chloro-3-methoxyphenyl)ethanone
CID 171022433
6-amino-2-hydroxy-3-methoxybenzoic acid
CID 84768914
3-amino-4-chloro-5-methoxyphenol
CID 118029335
2-bromo-3-chloro-6-methoxyphenol
CID 84700321
3,6-dimethoxy-2-methylphenol
CID 13158257
2-chloro-6-methoxy-3-[(methylhydrazinylidene)methyl]phenol
CID 110839630
3-(1-amino-3-hydroxypropyl)-2-chloro-6-methoxyphenol;hydrochloride
CID 170874866
2,3,4-trimethoxyaniline
CID 15455622
4-methoxy-2,3-dimethylaniline
CID 11094809
2-chloro-6-methoxy-3-methylaniline
CID 84766117
2-amino-4-methoxypyridin-3-ol
CID 22175065

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-6-methoxyphenol?
The IUPAC name of 3-amino-2-chloro-6-methoxyphenol (CID 45120120) is 3-amino-2-chloro-6-methoxyphenol.
What is the SMILES notation for 3-amino-2-chloro-6-methoxyphenol?
The canonical SMILES for 3-amino-2-chloro-6-methoxyphenol is COc1ccc(N)c(Cl)c1O.
What is the InChIKey of 3-amino-2-chloro-6-methoxyphenol?
The InChIKey is MOAOLFPDOYZANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2/c1-11-5-3-2-4(9)6(8)7(5)10/h2-3,10H,9H2,1H3.
What are the key properties of 3-amino-2-chloro-6-methoxyphenol?
3-amino-2-chloro-6-methoxyphenol has a molecular weight of 173.60 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-6-methoxyphenol is sourced from PubChem (CID 45120120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).