2,5-dichlorobenzene-1,4-diol

C6H4Cl2O2 — CID 65

IUPAC2,5-dichlorobenzene-1,4-diol
SMILESOc1cc(Cl)c(O)cc1Cl
InChIInChI=1S/C6H4Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H
InChIKeyAYNPIRVEWMUJDE-UHFFFAOYSA-N
MW179.00 g/mol
LogP2.40
Rot. Bonds

About 2,5-dichlorobenzene-1,4-diol

2,5-dichlorobenzene-1,4-diol (PubChem CID 65) has the molecular formula C6H4Cl2O2 and a molecular weight of 179.00 g/mol. Its IUPAC name is 2,5-dichlorobenzene-1,4-diol.

Molecular Properties

Compound Name2,5-dichlorobenzene-1,4-diol
PubChem CID65
Molecular FormulaC6H4Cl2O2
Molecular Weight179.00 g/mol
Exact Mass177.96
IUPAC Name2,5-dichlorobenzene-1,4-diol
SMILESOc1cc(Cl)c(O)cc1Cl
InChIInChI=1S/C6H4Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H
InChIKeyAYNPIRVEWMUJDE-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': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2,4-Dichlorophenol
CID 8449
2,4,5-Trichlorophenol
CID 7271
2,3,4,5-Tetrachlorophenol
CID 21013
3-Chlorophenol
CID 7933
2-Chlorophenol
CID 7245
2,3-Dichlorophenol
CID 11334
2,3,6-Trichlorophenol
CID 13618
2,5-Dichlorophenol
CID 66
2,3,5,6-Tetrachlorophenol
CID 13636
2,6-Dichlorophenol
CID 6899
3,5-Dichlorophenol
CID 11571
Chlorohydroquinone
CID 301

Frequently Asked Questions

What is the IUPAC name of 2,5-dichlorobenzene-1,4-diol?
The IUPAC name of 2,5-dichlorobenzene-1,4-diol (CID 65) is 2,5-dichlorobenzene-1,4-diol.
What is the SMILES notation for 2,5-dichlorobenzene-1,4-diol?
The canonical SMILES for 2,5-dichlorobenzene-1,4-diol is Oc1cc(Cl)c(O)cc1Cl.
What is the InChIKey of 2,5-dichlorobenzene-1,4-diol?
The InChIKey is AYNPIRVEWMUJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H.
What are the key properties of 2,5-dichlorobenzene-1,4-diol?
2,5-dichlorobenzene-1,4-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 2,5-dichlorobenzene-1,4-diol is sourced from PubChem (CID 65), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).