3-chlorocyclohex-3-ene-1,2-diol

C6H9ClO2 — CID 67478203

IUPAC3-chlorocyclohex-3-ene-1,2-diol
SMILESOC1CCC=C(Cl)C1O
InChIInChI=1S/C6H9ClO2/c7-4-2-1-3-5(8)6(4)9/h2,5-6,8-9H,1,3H2
InChIKeyPOQMPIZDNRDMKF-UHFFFAOYSA-N
MW148.59 g/mol
LogP0.62
Rot. Bonds

About 3-chlorocyclohex-3-ene-1,2-diol

3-chlorocyclohex-3-ene-1,2-diol (PubChem CID 67478203) has the molecular formula C6H9ClO2 and a molecular weight of 148.59 g/mol. Its IUPAC name is 3-chlorocyclohex-3-ene-1,2-diol.

Molecular Properties

Compound Name3-chlorocyclohex-3-ene-1,2-diol
PubChem CID67478203
Molecular FormulaC6H9ClO2
Molecular Weight148.59 g/mol
Exact Mass148.03
IUPAC Name3-chlorocyclohex-3-ene-1,2-diol
SMILESOC1CCC=C(Cl)C1O
InChIInChI=1S/C6H9ClO2/c7-4-2-1-3-5(8)6(4)9/h2,5-6,8-9H,1,3H2
InChIKeyPOQMPIZDNRDMKF-UHFFFAOYSA-N
XLogP0.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chlorocyclohex-3-ene-1,2-diol?
The IUPAC name of 3-chlorocyclohex-3-ene-1,2-diol (CID 67478203) is 3-chlorocyclohex-3-ene-1,2-diol.
What is the SMILES notation for 3-chlorocyclohex-3-ene-1,2-diol?
The canonical SMILES for 3-chlorocyclohex-3-ene-1,2-diol is OC1CCC=C(Cl)C1O.
What is the InChIKey of 3-chlorocyclohex-3-ene-1,2-diol?
The InChIKey is POQMPIZDNRDMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO2/c7-4-2-1-3-5(8)6(4)9/h2,5-6,8-9H,1,3H2.
What are the key properties of 3-chlorocyclohex-3-ene-1,2-diol?
3-chlorocyclohex-3-ene-1,2-diol has a molecular weight of 148.59 g/mol, XLogP of 0.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorocyclohex-3-ene-1,2-diol is sourced from PubChem (CID 67478203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).