2-(benzenesulfonyl)-1-cyclohexylethanol

C14H20O3S — CID 12958387

IUPAC2-(benzenesulfonyl)-1-cyclohexylethanol
SMILESO=S(=O)(CC(O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C14H20O3S/c15-14(12-7-3-1-4-8-12)11-18(16,17)13-9-5-2-6-10-13/h2,5-6,9-10,12,14-15H,1,3-4,7-8,11H2
InChIKeyLASHFTVHRKRTKQ-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.40
Rot. Bonds4

About 2-(benzenesulfonyl)-1-cyclohexylethanol

2-(benzenesulfonyl)-1-cyclohexylethanol (PubChem CID 12958387) has the molecular formula C14H20O3S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-cyclohexylethanol.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-cyclohexylethanol
PubChem CID12958387
Molecular FormulaC14H20O3S
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name2-(benzenesulfonyl)-1-cyclohexylethanol
SMILESO=S(=O)(CC(O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C14H20O3S/c15-14(12-7-3-1-4-8-12)11-18(16,17)13-9-5-2-6-10-13/h2,5-6,9-10,12,14-15H,1,3-4,7-8,11H2
InChIKeyLASHFTVHRKRTKQ-UHFFFAOYSA-N
XLogP2.40
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R,5R)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11595883
1-Phenyl-2-(phenylsulfinyl)ethanol
CID 288472
(3S,4S,5S)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11538009
(3S,4S,5R)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11639352
2-(Benzylsulfonyl)cyclohexan-1-ol
CID 2725945
(3S,4R,5S)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11717697
4-Phenyl-4-(phenylsulfanyl)butan-1-ol
CID 283796
2-(Benzenesulfonyl)-1-(4-fluorophenyl)ethanol
CID 12920544
(1S,4S)-3-(benzenesulfonyl)-4-methylcyclohept-2-en-1-ol
CID 10038565
(S)-1-Phenyl-2-(phenylsulfonyl)ethanol
CID 11184587
(1R)-2-(benzenesulfonyl)-1-phenylethanol
CID 12495322
2-Methyl-3-(4-methylphenyl)sulfonylpropan-1-ol
CID 14640298

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-cyclohexylethanol?
The IUPAC name of 2-(benzenesulfonyl)-1-cyclohexylethanol (CID 12958387) is 2-(benzenesulfonyl)-1-cyclohexylethanol.
What is the SMILES notation for 2-(benzenesulfonyl)-1-cyclohexylethanol?
The canonical SMILES for 2-(benzenesulfonyl)-1-cyclohexylethanol is O=S(=O)(CC(O)C1CCCCC1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-1-cyclohexylethanol?
The InChIKey is LASHFTVHRKRTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3S/c15-14(12-7-3-1-4-8-12)11-18(16,17)13-9-5-2-6-10-13/h2,5-6,9-10,12,14-15H,1,3-4,7-8,11H2.
What are the key properties of 2-(benzenesulfonyl)-1-cyclohexylethanol?
2-(benzenesulfonyl)-1-cyclohexylethanol has a molecular weight of 268.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-cyclohexylethanol is sourced from PubChem (CID 12958387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).