1,6-dichlorocyclohexa-2,4-dien-1-ol

C6H6Cl2O — CID 22630186

IUPAC1,6-dichlorocyclohexa-2,4-dien-1-ol
SMILESOC1(Cl)C=CC=CC1Cl
InChIInChI=1S/C6H6Cl2O/c7-5-3-1-2-4-6(5,8)9/h1-5,9H
InChIKeyHGDSVKXSCIQUIV-UHFFFAOYSA-N
MW165.02 g/mol
LogP1.65
Rot. Bonds

About 1,6-dichlorocyclohexa-2,4-dien-1-ol

1,6-dichlorocyclohexa-2,4-dien-1-ol (PubChem CID 22630186) has the molecular formula C6H6Cl2O and a molecular weight of 165.02 g/mol. Its IUPAC name is 1,6-dichlorocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,6-dichlorocyclohexa-2,4-dien-1-ol
PubChem CID22630186
Molecular FormulaC6H6Cl2O
Molecular Weight165.02 g/mol
Exact Mass163.98
IUPAC Name1,6-dichlorocyclohexa-2,4-dien-1-ol
SMILESOC1(Cl)C=CC=CC1Cl
InChIInChI=1S/C6H6Cl2O/c7-5-3-1-2-4-6(5,8)9/h1-5,9H
InChIKeyHGDSVKXSCIQUIV-UHFFFAOYSA-N
XLogP1.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.02
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,6-dichlorocyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,6-dichlorocyclohexa-2,4-dien-1-ol (CID 22630186) is 1,6-dichlorocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,6-dichlorocyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,6-dichlorocyclohexa-2,4-dien-1-ol is OC1(Cl)C=CC=CC1Cl.
What is the InChIKey of 1,6-dichlorocyclohexa-2,4-dien-1-ol?
The InChIKey is HGDSVKXSCIQUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2O/c7-5-3-1-2-4-6(5,8)9/h1-5,9H.
What are the key properties of 1,6-dichlorocyclohexa-2,4-dien-1-ol?
1,6-dichlorocyclohexa-2,4-dien-1-ol has a molecular weight of 165.02 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dichlorocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 22630186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).