[2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]methanol

C17H24O3S — CID 67084525

IUPAC[2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]methanol
SMILESCS(=O)(=O)c1ccc(C2(CO)CC2C2CCCCC2)cc1
InChIInChI=1S/C17H24O3S/c1-21(19,20)15-9-7-14(8-10-15)17(12-18)11-16(17)13-5-3-2-4-6-13/h7-10,13,16,18H,2-6,11-12H2,1H3
InChIKeyJHOYACAFEDLMQA-UHFFFAOYSA-N
MW308.44 g/mol
LogP2.92
Rot. Bonds4

About [2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]methanol

[2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]methanol (PubChem CID 67084525) has the molecular formula C17H24O3S and a molecular weight of 308.44 g/mol. Its IUPAC name is [2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]methanol
PubChem CID67084525
Molecular FormulaC17H24O3S
Molecular Weight308.44 g/mol
Exact Mass308.14
IUPAC Name[2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]methanol
SMILESCS(=O)(=O)c1ccc(C2(CO)CC2C2CCCCC2)cc1
InChIInChI=1S/C17H24O3S/c1-21(19,20)15-9-7-14(8-10-15)17(12-18)11-16(17)13-5-3-2-4-6-13/h7-10,13,16,18H,2-6,11-12H2,1H3
InChIKeyJHOYACAFEDLMQA-UHFFFAOYSA-N
XLogP2.92
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]methanol 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

[2-cyclohexyl-1-(4-fluorophenyl)cyclopropyl]methanol
CID 67084504
2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropane-1-carboxylic acid
CID 67084449
1-[(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]ethanone
CID 67953738
2,2-dichloro-3-cyclopentyl-1-(4-methylsulfonylphenyl)cyclopropane-1-carboxylic acid
CID 67084660
5-[2-cyclopentyl-1-(hydroxymethyl)cyclopropyl]-N-[(dimethylamino)methyl]thiophene-2-sulfonamide
CID 69060598
3-cyclohexyl-2-(4-methylsulfonylphenyl)prop-2-en-1-ol
CID 67084454
1-[(1S,2S)-2-cyclohexylcyclopropyl]-4-methylsulfonylbenzene
CID 70255200
[1-amino-3-(4-methylsulfonylphenyl)sulfanylcyclohexyl]methanol
CID 79640280
cyclopentyl-(4-methylsulfonylphenyl)methanol
CID 115840633
(2R,4S,5R)-4-hydroxy-4,5-bis(4-methylsulfonylphenyl)oxolane-2-carboxylic acid
CID 25188734
ethyl 2-[[2-cyclopentyl-1-(4-methylsulfonylphenyl)cyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxylate
CID 85129388
2-(cyclohexylamino)-2-(4-methylsulfonylphenyl)propan-1-ol
CID 61047112

Frequently Asked Questions

What is the IUPAC name of [2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]methanol?
The IUPAC name of [2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]methanol (CID 67084525) is [2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]methanol.
What is the SMILES notation for [2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]methanol?
The canonical SMILES for [2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]methanol is CS(=O)(=O)c1ccc(C2(CO)CC2C2CCCCC2)cc1.
What is the InChIKey of [2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]methanol?
The InChIKey is JHOYACAFEDLMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3S/c1-21(19,20)15-9-7-14(8-10-15)17(12-18)11-16(17)13-5-3-2-4-6-13/h7-10,13,16,18H,2-6,11-12H2,1H3.
What are the key properties of [2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]methanol?
[2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]methanol has a molecular weight of 308.44 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]methanol is sourced from PubChem (CID 67084525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).