3-amino-2-chloro-5-methylbenzene-1,4-diol

C7H8ClNO2 — CID 84654764

IUPAC3-amino-2-chloro-5-methylbenzene-1,4-diol
SMILESCc1cc(O)c(Cl)c(N)c1O
InChIInChI=1S/C7H8ClNO2/c1-3-2-4(10)5(8)6(9)7(3)11/h2,10-11H,9H2,1H3
InChIKeyZTRGXHQIMQTWBU-UHFFFAOYSA-N
MW173.60 g/mol
LogP1.64
Rot. Bonds

About 3-amino-2-chloro-5-methylbenzene-1,4-diol

3-amino-2-chloro-5-methylbenzene-1,4-diol (PubChem CID 84654764) has the molecular formula C7H8ClNO2 and a molecular weight of 173.60 g/mol. Its IUPAC name is 3-amino-2-chloro-5-methylbenzene-1,4-diol.

Molecular Properties

Compound Name3-amino-2-chloro-5-methylbenzene-1,4-diol
PubChem CID84654764
Molecular FormulaC7H8ClNO2
Molecular Weight173.60 g/mol
Exact Mass173.02
IUPAC Name3-amino-2-chloro-5-methylbenzene-1,4-diol
SMILESCc1cc(O)c(Cl)c(N)c1O
InChIInChI=1S/C7H8ClNO2/c1-3-2-4(10)5(8)6(9)7(3)11/h2,10-11H,9H2,1H3
InChIKeyZTRGXHQIMQTWBU-UHFFFAOYSA-N
XLogP1.64
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-2-chloro-5-methylbenzene-1,4-diol 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-bromo-2-chloro-5-methylbenzene-1,4-diol
CID 59638989
3-amino-4-bromo-2-chloro-6-methylphenol
CID 126970522
2-amino-3-chloro-6-fluoro-4-methylphenol
CID 84655409
2-amino-6-chloro-3,4-dimethylphenol
CID 45120159
3-chloro-2,4-dihydroxy-6-methylbenzaldehyde
CID 71334263
3-amino-4-bromo-5-methylbenzene-1,2-diol
CID 84683348
methyl 2-amino-3-chloro-4-hydroxy-5-methylbenzoate
CID 174640737
2,3,5-trimethylbenzene-1,4-diol
CID 87406815
4-chloro-5-methylbenzene-1,2-diol
CID 23510503
2-chloro-4-(3-hydroxypropyl)-3,5-dimethylphenol
CID 117305989
4-(aminomethyl)-2-chloro-6-methylbenzene-1,3-diol
CID 84770587
5-amino-2-chloro-4-methylphenol
CID 21428510

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-5-methylbenzene-1,4-diol?
The IUPAC name of 3-amino-2-chloro-5-methylbenzene-1,4-diol (CID 84654764) is 3-amino-2-chloro-5-methylbenzene-1,4-diol.
What is the SMILES notation for 3-amino-2-chloro-5-methylbenzene-1,4-diol?
The canonical SMILES for 3-amino-2-chloro-5-methylbenzene-1,4-diol is Cc1cc(O)c(Cl)c(N)c1O.
What is the InChIKey of 3-amino-2-chloro-5-methylbenzene-1,4-diol?
The InChIKey is ZTRGXHQIMQTWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2/c1-3-2-4(10)5(8)6(9)7(3)11/h2,10-11H,9H2,1H3.
What are the key properties of 3-amino-2-chloro-5-methylbenzene-1,4-diol?
3-amino-2-chloro-5-methylbenzene-1,4-diol has a molecular weight of 173.60 g/mol, XLogP of 1.64, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-5-methylbenzene-1,4-diol is sourced from PubChem (CID 84654764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).