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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Related Compounds

(1S,2S)-3-chlorocyclohex-3-ene-1,2-diol
CID 67478154
(1S,6S)-2-chloro-6-methylcyclohex-2-en-1-ol
CID 58637363
(5S,6R)-5,6-dihydroxycyclohexene-1-carbonitrile
CID 102276937
(1R)-2-chlorocyclopent-2-en-1-amine;hydrochloride
CID 118540639
(1S,2R)-3-phenylcyclohex-3-ene-1,2-diol
CID 10535684
2-chloro-6-methylcyclohex-2-en-1-amine
CID 143703375
(1S)-cyclohex-3-ene-1,3-diol
CID 67743763
1,2,3,5,6,7-hexahydronaphthalene-1,5-diol
CID 130126715
1-chloro-6-methylcyclohexene
CID 565192
5-methylcyclooct-5-ene-1,2-diol
CID 68741308
1-chloro-5,6-diethylcyclohexene
CID 148572658
(1R,6S)-2-amino-6-methoxycyclohex-2-en-1-ol
CID 147910549

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).