3,5-dichlorobenzene-1,2-diol

C6H4Cl2O2 — CID 26173

IUPAC3,5-dichlorobenzene-1,2-diol
SMILESOc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C6H4Cl2O2/c7-3-1-4(8)6(10)5(9)2-3/h1-2,9-10H
InChIKeyXSXYVLIPQMXCBV-UHFFFAOYSA-N
MW179.00 g/mol
LogP2.40
Rot. Bonds

About 3,5-dichlorobenzene-1,2-diol

3,5-dichlorobenzene-1,2-diol (PubChem CID 26173) has the molecular formula C6H4Cl2O2 and a molecular weight of 179.00 g/mol. Its IUPAC name is 3,5-dichlorobenzene-1,2-diol.

Molecular Properties

Compound Name3,5-dichlorobenzene-1,2-diol
PubChem CID26173
Molecular FormulaC6H4Cl2O2
Molecular Weight179.00 g/mol
Exact Mass177.96
IUPAC Name3,5-dichlorobenzene-1,2-diol
SMILESOc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C6H4Cl2O2/c7-3-1-4(8)6(10)5(9)2-3/h1-2,9-10H
InChIKeyXSXYVLIPQMXCBV-UHFFFAOYSA-N
XLogP2.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.00
LogP ≤ 52.40
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 3,5-dichlorobenzene-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

2,4,6-Trichlorophenol
CID 6914
2,4-Dichlorophenol
CID 8449
2,4,5-Trichlorophenol
CID 7271
2,3,4-Trichlorophenol
CID 27582
2,5-Dichlorophenol
CID 66
2,6-Dichlorophenol
CID 6899
3,5-Dichlorophenol
CID 11571
4,5-Dichlorocatechol
CID 18909
4-Chlorocatechol
CID 16496
3,6-Dichlorocatechol
CID 32819
3,4,6-Trichlorocatechol
CID 32817
2,6-Dichlorohydroquinone
CID 88366

Frequently Asked Questions

What is the IUPAC name of 3,5-dichlorobenzene-1,2-diol?
The IUPAC name of 3,5-dichlorobenzene-1,2-diol (CID 26173) is 3,5-dichlorobenzene-1,2-diol.
What is the SMILES notation for 3,5-dichlorobenzene-1,2-diol?
The canonical SMILES for 3,5-dichlorobenzene-1,2-diol is Oc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichlorobenzene-1,2-diol?
The InChIKey is XSXYVLIPQMXCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2O2/c7-3-1-4(8)6(10)5(9)2-3/h1-2,9-10H.
What are the key properties of 3,5-dichlorobenzene-1,2-diol?
3,5-dichlorobenzene-1,2-diol has a molecular weight of 179.00 g/mol, XLogP of 2.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichlorobenzene-1,2-diol is sourced from PubChem (CID 26173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).