3-cyclohexyl-2-(4-methylsulfonylphenyl)prop-2-en-1-ol

C16H22O3S — CID 67084454

IUPAC3-cyclohexyl-2-(4-methylsulfonylphenyl)prop-2-en-1-ol
SMILESCS(=O)(=O)c1ccc(C(=CC2CCCCC2)CO)cc1
InChIInChI=1S/C16H22O3S/c1-20(18,19)16-9-7-14(8-10-16)15(12-17)11-13-5-3-2-4-6-13/h7-11,13,17H,2-6,12H2,1H3
InChIKeyFVEKJSCCVPHWTA-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.05
Rot. Bonds4

About 3-cyclohexyl-2-(4-methylsulfonylphenyl)prop-2-en-1-ol

3-cyclohexyl-2-(4-methylsulfonylphenyl)prop-2-en-1-ol (PubChem CID 67084454) has the molecular formula C16H22O3S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-cyclohexyl-2-(4-methylsulfonylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-cyclohexyl-2-(4-methylsulfonylphenyl)prop-2-en-1-ol
PubChem CID67084454
Molecular FormulaC16H22O3S
Molecular Weight294.42 g/mol
Exact Mass294.13
IUPAC Name3-cyclohexyl-2-(4-methylsulfonylphenyl)prop-2-en-1-ol
SMILESCS(=O)(=O)c1ccc(C(=CC2CCCCC2)CO)cc1
InChIInChI=1S/C16H22O3S/c1-20(18,19)16-9-7-14(8-10-16)15(12-17)11-13-5-3-2-4-6-13/h7-11,13,17H,2-6,12H2,1H3
InChIKeyFVEKJSCCVPHWTA-UHFFFAOYSA-N
XLogP3.05
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclohexyl-2-(4-methylsulfonylphenyl)prop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-cyclohexyl-3-hydroxyprop-1-en-2-yl)-N-methylbenzenesulfonamide
CID 67084448
3-cyclohexyl-2-(6-methylsulfonyl-3-pyridinyl)prop-2-en-1-ol
CID 67484994
methyl 3-cycloheptyl-2-(4-methylsulfonylphenyl)prop-2-enoate
CID 54500614
ethyl 3-cyclopentyl-2-(4-methylsulfonylphenyl)prop-2-enoate
CID 67084406
(E)-3-cyclohexyl-3-(4-methylsulfonylphenyl)prop-2-enoic acid
CID 150155729
2-[(E)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole
CID 71748367
2-[(Z)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole
CID 124667426
2-[(E)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 67228625
cyclobutyl-(4-methylsulfonylphenyl)methanone
CID 82497049
2-(azepan-2-yl)-1-(4-methylsulfonylphenyl)ethanone
CID 81467196
2-(N-cyclopentyl-4-methylsulfonylanilino)acetic acid
CID 60840698
N-(2-chloroethyl)-N-cyclopentyl-4-methylsulfonylbenzamide
CID 63391222

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(4-methylsulfonylphenyl)prop-2-en-1-ol?
The IUPAC name of 3-cyclohexyl-2-(4-methylsulfonylphenyl)prop-2-en-1-ol (CID 67084454) is 3-cyclohexyl-2-(4-methylsulfonylphenyl)prop-2-en-1-ol.
What is the SMILES notation for 3-cyclohexyl-2-(4-methylsulfonylphenyl)prop-2-en-1-ol?
The canonical SMILES for 3-cyclohexyl-2-(4-methylsulfonylphenyl)prop-2-en-1-ol is CS(=O)(=O)c1ccc(C(=CC2CCCCC2)CO)cc1.
What is the InChIKey of 3-cyclohexyl-2-(4-methylsulfonylphenyl)prop-2-en-1-ol?
The InChIKey is FVEKJSCCVPHWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3S/c1-20(18,19)16-9-7-14(8-10-16)15(12-17)11-13-5-3-2-4-6-13/h7-11,13,17H,2-6,12H2,1H3.
What are the key properties of 3-cyclohexyl-2-(4-methylsulfonylphenyl)prop-2-en-1-ol?
3-cyclohexyl-2-(4-methylsulfonylphenyl)prop-2-en-1-ol has a molecular weight of 294.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(4-methylsulfonylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 67084454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).