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

C7H7ClO2 — CID 23510503

IUPAC4-chloro-5-methylbenzene-1,2-diol
SMILESCc1cc(O)c(O)cc1Cl
InChIInChI=1S/C7H7ClO2/c1-4-2-6(9)7(10)3-5(4)8/h2-3,9-10H,1H3
InChIKeyDJFHGZPAVXFRIJ-UHFFFAOYSA-N
MW158.58 g/mol
LogP2.06
Rot. Bonds

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

4-chloro-5-methylbenzene-1,2-diol (PubChem CID 23510503) has the molecular formula C7H7ClO2 and a molecular weight of 158.58 g/mol. Its IUPAC name is 4-chloro-5-methylbenzene-1,2-diol.

Molecular Properties

Compound Name4-chloro-5-methylbenzene-1,2-diol
PubChem CID23510503
Molecular FormulaC7H7ClO2
Molecular Weight158.58 g/mol
Exact Mass158.01
IUPAC Name4-chloro-5-methylbenzene-1,2-diol
SMILESCc1cc(O)c(O)cc1Cl
InChIInChI=1S/C7H7ClO2/c1-4-2-6(9)7(10)3-5(4)8/h2-3,9-10H,1H3
InChIKeyDJFHGZPAVXFRIJ-UHFFFAOYSA-N
XLogP2.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.58
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-chloro-5-methylbenzene-1,2-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

4-chloro-5-methyl-2-propan-2-ylphenol
CID 160599975
1,5-dichloro-2,4-dimethylbenzene
CID 4174838
2-(2-aminopropan-2-yl)-4-chloro-5-methylphenol
CID 117288945
2-[(1R)-1-aminoethyl]-4-chloro-5-methylphenol;hydrochloride
CID 175670800
(4-chloro-2-hydroxy-5-methylphenoxy)boronic acid
CID 142793819
5-chloro-2-hydroxy-4-methylbenzaldehyde;methoxymethane
CID 143926582
2-(2-amino-1-hydroxypropyl)-4-chloro-5-methylphenol
CID 84681407
2-amino-1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone
CID 84669092
2-[(1-aminocyclopropyl)methyl]-4-chloro-5-methylphenol
CID 117302399
(2-chloro-4-hydroxy-5-methylphenyl)boronic acid
CID 164895580
3-chloro-4-methylphenol
CID 14853
2-bromo-4-chloro-3-methylphenol;2-bromo-4-chloro-5-methylphenol
CID 159184639

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methylbenzene-1,2-diol?
The IUPAC name of 4-chloro-5-methylbenzene-1,2-diol (CID 23510503) is 4-chloro-5-methylbenzene-1,2-diol.
What is the SMILES notation for 4-chloro-5-methylbenzene-1,2-diol?
The canonical SMILES for 4-chloro-5-methylbenzene-1,2-diol is Cc1cc(O)c(O)cc1Cl.
What is the InChIKey of 4-chloro-5-methylbenzene-1,2-diol?
The InChIKey is DJFHGZPAVXFRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO2/c1-4-2-6(9)7(10)3-5(4)8/h2-3,9-10H,1H3.
What are the key properties of 4-chloro-5-methylbenzene-1,2-diol?
4-chloro-5-methylbenzene-1,2-diol has a molecular weight of 158.58 g/mol, XLogP of 2.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methylbenzene-1,2-diol is sourced from PubChem (CID 23510503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).