4,6-dichlorocyclohexa-1,3-dien-1-ol

C6H6Cl2O — CID 148627051

IUPAC4,6-dichlorocyclohexa-1,3-dien-1-ol
SMILESOC1=CC=C(Cl)CC1Cl
InChIInChI=1S/C6H6Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-2,5,9H,3H2
InChIKeyNHKHHKIJSJIQCX-UHFFFAOYSA-N
MW165.02 g/mol
LogP2.56
Rot. Bonds

About 4,6-dichlorocyclohexa-1,3-dien-1-ol

4,6-dichlorocyclohexa-1,3-dien-1-ol (PubChem CID 148627051) has the molecular formula C6H6Cl2O and a molecular weight of 165.02 g/mol. Its IUPAC name is 4,6-dichlorocyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4,6-dichlorocyclohexa-1,3-dien-1-ol
PubChem CID148627051
Molecular FormulaC6H6Cl2O
Molecular Weight165.02 g/mol
Exact Mass163.98
IUPAC Name4,6-dichlorocyclohexa-1,3-dien-1-ol
SMILESOC1=CC=C(Cl)CC1Cl
InChIInChI=1S/C6H6Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-2,5,9H,3H2
InChIKeyNHKHHKIJSJIQCX-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
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 4,6-dichlorocyclohexa-1,3-dien-1-ol?
The IUPAC name of 4,6-dichlorocyclohexa-1,3-dien-1-ol (CID 148627051) is 4,6-dichlorocyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4,6-dichlorocyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4,6-dichlorocyclohexa-1,3-dien-1-ol is OC1=CC=C(Cl)CC1Cl.
What is the InChIKey of 4,6-dichlorocyclohexa-1,3-dien-1-ol?
The InChIKey is NHKHHKIJSJIQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-2,5,9H,3H2.
What are the key properties of 4,6-dichlorocyclohexa-1,3-dien-1-ol?
4,6-dichlorocyclohexa-1,3-dien-1-ol has a molecular weight of 165.02 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichlorocyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 148627051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).