2-chlorocyclohexa-2,4-dien-1-ol

C6H7ClO — CID 77299826

IUPAC2-chlorocyclohexa-2,4-dien-1-ol
SMILESOC1CC=CC=C1Cl
InChIInChI=1S/C6H7ClO/c7-5-3-1-2-4-6(5)8/h1-3,6,8H,4H2
InChIKeyCQZVOBKVHIDQFK-UHFFFAOYSA-N
MW130.57 g/mol
LogP1.43
Rot. Bonds

About 2-chlorocyclohexa-2,4-dien-1-ol

2-chlorocyclohexa-2,4-dien-1-ol (PubChem CID 77299826) has the molecular formula C6H7ClO and a molecular weight of 130.57 g/mol. Its IUPAC name is 2-chlorocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2-chlorocyclohexa-2,4-dien-1-ol
PubChem CID77299826
Molecular FormulaC6H7ClO
Molecular Weight130.57 g/mol
Exact Mass130.02
IUPAC Name2-chlorocyclohexa-2,4-dien-1-ol
SMILESOC1CC=CC=C1Cl
InChIInChI=1S/C6H7ClO/c7-5-3-1-2-4-6(5)8/h1-3,6,8H,4H2
InChIKeyCQZVOBKVHIDQFK-UHFFFAOYSA-N
XLogP1.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.57
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-chlorocyclohexa-2,4-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chlorocyclohexa-2,4-dien-1-ol?
The IUPAC name of 2-chlorocyclohexa-2,4-dien-1-ol (CID 77299826) is 2-chlorocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2-chlorocyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2-chlorocyclohexa-2,4-dien-1-ol is OC1CC=CC=C1Cl.
What is the InChIKey of 2-chlorocyclohexa-2,4-dien-1-ol?
The InChIKey is CQZVOBKVHIDQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClO/c7-5-3-1-2-4-6(5)8/h1-3,6,8H,4H2.
What are the key properties of 2-chlorocyclohexa-2,4-dien-1-ol?
2-chlorocyclohexa-2,4-dien-1-ol has a molecular weight of 130.57 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 77299826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).