chloro(cyclohex-2-en-1-yl)methanol

C7H11ClO — CID 141159167

IUPACchloro(cyclohex-2-en-1-yl)methanol
SMILESOC(Cl)C1C=CCCC1
InChIInChI=1S/C7H11ClO/c8-7(9)6-4-2-1-3-5-6/h2,4,6-7,9H,1,3,5H2
InChIKeyYHQSYASTHWZRLJ-UHFFFAOYSA-N
MW146.62 g/mol
LogP1.90
Rot. Bonds1

About chloro(cyclohex-2-en-1-yl)methanol

chloro(cyclohex-2-en-1-yl)methanol (PubChem CID 141159167) has the molecular formula C7H11ClO and a molecular weight of 146.62 g/mol. Its IUPAC name is chloro(cyclohex-2-en-1-yl)methanol.

Molecular Properties

Compound Namechloro(cyclohex-2-en-1-yl)methanol
PubChem CID141159167
Molecular FormulaC7H11ClO
Molecular Weight146.62 g/mol
Exact Mass146.05
IUPAC Namechloro(cyclohex-2-en-1-yl)methanol
SMILESOC(Cl)C1C=CCCC1
InChIInChI=1S/C7H11ClO/c8-7(9)6-4-2-1-3-5-6/h2,4,6-7,9H,1,3,5H2
InChIKeyYHQSYASTHWZRLJ-UHFFFAOYSA-N
XLogP1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Cyclohexene-1-methanol
CID 11083859
Cyclohex-2-enylmethanol
CID 70281595
(2R)-2-[(E)-5-chloropent-1-enyl]octan-1-ol
CID 166443411
(6-Chlorocyclohex-3-en-1-yl)methanol
CID 12869964
[(1R)-cyclohex-2-en-1-yl]methanol
CID 12548373
(2,6-Dichlorocyclohex-3-en-1-yl)methanol
CID 68213339
Chloro(cyclohex-3-en-1-yl)methanol
CID 68244850
(4-Bromocyclohex-2-en-1-yl)-chloromethanol
CID 89595432
(4-Chlorocyclohex-3-en-1-yl)methanol
CID 118964478
(3,4-Dichlorocyclohex-2-en-1-yl)methanol
CID 138514197
(4-Chloro-5-iodo-1-methylcyclohex-2-en-1-yl)methanol
CID 139334683
(2-Chlorocyclohex-2-en-1-yl)methanol
CID 176012519

Frequently Asked Questions

What is the IUPAC name of chloro(cyclohex-2-en-1-yl)methanol?
The IUPAC name of chloro(cyclohex-2-en-1-yl)methanol (CID 141159167) is chloro(cyclohex-2-en-1-yl)methanol.
What is the SMILES notation for chloro(cyclohex-2-en-1-yl)methanol?
The canonical SMILES for chloro(cyclohex-2-en-1-yl)methanol is OC(Cl)C1C=CCCC1.
What is the InChIKey of chloro(cyclohex-2-en-1-yl)methanol?
The InChIKey is YHQSYASTHWZRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO/c8-7(9)6-4-2-1-3-5-6/h2,4,6-7,9H,1,3,5H2.
What are the key properties of chloro(cyclohex-2-en-1-yl)methanol?
chloro(cyclohex-2-en-1-yl)methanol has a molecular weight of 146.62 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(cyclohex-2-en-1-yl)methanol is sourced from PubChem (CID 141159167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).