2-chlorocyclohexa-1,3-dien-1-ol

C6H7ClO — CID 19889440

IUPAC2-chlorocyclohexa-1,3-dien-1-ol
SMILESOC1=C(Cl)C=CCC1
InChIInChI=1S/C6H7ClO/c7-5-3-1-2-4-6(5)8/h1,3,8H,2,4H2
InChIKeyLECZFRTVDXEEAM-UHFFFAOYSA-N
MW130.57 g/mol
LogP2.34
Rot. Bonds

About 2-chlorocyclohexa-1,3-dien-1-ol

2-chlorocyclohexa-1,3-dien-1-ol (PubChem CID 19889440) has the molecular formula C6H7ClO and a molecular weight of 130.57 g/mol. Its IUPAC name is 2-chlorocyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2-chlorocyclohexa-1,3-dien-1-ol
PubChem CID19889440
Molecular FormulaC6H7ClO
Molecular Weight130.57 g/mol
Exact Mass130.02
IUPAC Name2-chlorocyclohexa-1,3-dien-1-ol
SMILESOC1=C(Cl)C=CCC1
InChIInChI=1S/C6H7ClO/c7-5-3-1-2-4-6(5)8/h1,3,8H,2,4H2
InChIKeyLECZFRTVDXEEAM-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chlorocyclohexa-1,3-dien-1-ol?
The IUPAC name of 2-chlorocyclohexa-1,3-dien-1-ol (CID 19889440) is 2-chlorocyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2-chlorocyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2-chlorocyclohexa-1,3-dien-1-ol is OC1=C(Cl)C=CCC1.
What is the InChIKey of 2-chlorocyclohexa-1,3-dien-1-ol?
The InChIKey is LECZFRTVDXEEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClO/c7-5-3-1-2-4-6(5)8/h1,3,8H,2,4H2.
What are the key properties of 2-chlorocyclohexa-1,3-dien-1-ol?
2-chlorocyclohexa-1,3-dien-1-ol has a molecular weight of 130.57 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorocyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 19889440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).