2-cyclohexyl-1-methylsulfonyl-5-phenylpent-1-en-3-ol

C18H26O3S — CID 10008841

IUPAC2-cyclohexyl-1-methylsulfonyl-5-phenylpent-1-en-3-ol
SMILESCS(=O)(=O)C=C(C(O)CCc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H26O3S/c1-22(20,21)14-17(16-10-6-3-7-11-16)18(19)13-12-15-8-4-2-5-9-15/h2,4-5,8-9,14,16,18-19H,3,6-7,10-13H2,1H3
InChIKeyALGXMVHRRGVWSG-UHFFFAOYSA-N
MW322.47 g/mol
LogP3.49
Rot. Bonds6

About 2-cyclohexyl-1-methylsulfonyl-5-phenylpent-1-en-3-ol

2-cyclohexyl-1-methylsulfonyl-5-phenylpent-1-en-3-ol (PubChem CID 10008841) has the molecular formula C18H26O3S and a molecular weight of 322.47 g/mol. Its IUPAC name is 2-cyclohexyl-1-methylsulfonyl-5-phenylpent-1-en-3-ol.

Molecular Properties

Compound Name2-cyclohexyl-1-methylsulfonyl-5-phenylpent-1-en-3-ol
PubChem CID10008841
Molecular FormulaC18H26O3S
Molecular Weight322.47 g/mol
Exact Mass322.16
IUPAC Name2-cyclohexyl-1-methylsulfonyl-5-phenylpent-1-en-3-ol
SMILESCS(=O)(=O)C=C(C(O)CCc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H26O3S/c1-22(20,21)14-17(16-10-6-3-7-11-16)18(19)13-12-15-8-4-2-5-9-15/h2,4-5,8-9,14,16,18-19H,3,6-7,10-13H2,1H3
InChIKeyALGXMVHRRGVWSG-UHFFFAOYSA-N
XLogP3.49
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(E)-4-cyclohexylpent-3-enyl]benzene
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(1R)-1-cyclopentyl-3-phenylpropan-1-ol
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[(3R)-3-cyclohexylbutyl]benzene
CID 102579407
3,3-dicyclohexylpropylbenzene
CID 86671113
(E)-1-cyclopentyl-5-phenylpent-1-en-3-ol
CID 10263265
(1-cyclohexyl-4-phenylbutan-2-yl)hydrazine
CID 105205647
[3-(cyclohexylmethyl)-6-phenylhexyl]benzene
CID 173252623
1-cyclohexyl-4-phenylbutan-1-one
CID 11481636
1-[1-(2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338750
(5-cyclohexyl-3-methoxypentyl)benzene
CID 143381268
(2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-methylsulfonyl-5-phenylpent-1-en-3-ol?
The IUPAC name of 2-cyclohexyl-1-methylsulfonyl-5-phenylpent-1-en-3-ol (CID 10008841) is 2-cyclohexyl-1-methylsulfonyl-5-phenylpent-1-en-3-ol.
What is the SMILES notation for 2-cyclohexyl-1-methylsulfonyl-5-phenylpent-1-en-3-ol?
The canonical SMILES for 2-cyclohexyl-1-methylsulfonyl-5-phenylpent-1-en-3-ol is CS(=O)(=O)C=C(C(O)CCc1ccccc1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-methylsulfonyl-5-phenylpent-1-en-3-ol?
The InChIKey is ALGXMVHRRGVWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3S/c1-22(20,21)14-17(16-10-6-3-7-11-16)18(19)13-12-15-8-4-2-5-9-15/h2,4-5,8-9,14,16,18-19H,3,6-7,10-13H2,1H3.
What are the key properties of 2-cyclohexyl-1-methylsulfonyl-5-phenylpent-1-en-3-ol?
2-cyclohexyl-1-methylsulfonyl-5-phenylpent-1-en-3-ol has a molecular weight of 322.47 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-methylsulfonyl-5-phenylpent-1-en-3-ol is sourced from PubChem (CID 10008841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).