5-methylsulfonyl-2-phenylpentan-1-ol

C12H18O3S — CID 66058366

IUPAC5-methylsulfonyl-2-phenylpentan-1-ol
SMILESCS(=O)(=O)CCCC(CO)c1ccccc1
InChIInChI=1S/C12H18O3S/c1-16(14,15)9-5-8-12(10-13)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3
InChIKeyOKBJLOOEXBYCHR-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.59
Rot. Bonds6

About 5-methylsulfonyl-2-phenylpentan-1-ol

5-methylsulfonyl-2-phenylpentan-1-ol (PubChem CID 66058366) has the molecular formula C12H18O3S and a molecular weight of 242.34 g/mol. Its IUPAC name is 5-methylsulfonyl-2-phenylpentan-1-ol.

Molecular Properties

Compound Name5-methylsulfonyl-2-phenylpentan-1-ol
PubChem CID66058366
Molecular FormulaC12H18O3S
Molecular Weight242.34 g/mol
Exact Mass242.10
IUPAC Name5-methylsulfonyl-2-phenylpentan-1-ol
SMILESCS(=O)(=O)CCCC(CO)c1ccccc1
InChIInChI=1S/C12H18O3S/c1-16(14,15)9-5-8-12(10-13)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3
InChIKeyOKBJLOOEXBYCHR-UHFFFAOYSA-N
XLogP1.59
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5S)-2,5-diphenylhexane-1,6-diol
CID 102169365
sodium;hydride;4-hydroxy-3-phenylbutane-1-sulfonic acid
CID 173165688
2-(4-fluorophenyl)-4-methylsulfonylbutan-1-ol
CID 79437654
4-methylsulfonyl-1-(4-phenylphenyl)butan-1-ol
CID 65148469
2-(3-bromophenyl)-4-methylsulfonylbutan-1-ol
CID 79442931
5-ethylsulfonyl-2-(4-fluorophenyl)pentan-1-ol
CID 79437908
N,2-dimethyl-5-methylsulfonyl-1-phenylpentan-1-amine
CID 104845309
4-methylsulfonyl-2-phenylbutanoic acid
CID 65429649
2-methyl-5-methylsulfonyl-1-phenylpentan-1-one
CID 104844968
1-chloro-4-(1-chloro-5-methylsulfonylpentan-2-yl)benzene
CID 79435063
1-hydroxy-5-methylsulfonyl-1-phenylpentan-2-one
CID 103458038
5,5-dimethyl-2-phenylhexan-1-ol
CID 66060280

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2-phenylpentan-1-ol?
The IUPAC name of 5-methylsulfonyl-2-phenylpentan-1-ol (CID 66058366) is 5-methylsulfonyl-2-phenylpentan-1-ol.
What is the SMILES notation for 5-methylsulfonyl-2-phenylpentan-1-ol?
The canonical SMILES for 5-methylsulfonyl-2-phenylpentan-1-ol is CS(=O)(=O)CCCC(CO)c1ccccc1.
What is the InChIKey of 5-methylsulfonyl-2-phenylpentan-1-ol?
The InChIKey is OKBJLOOEXBYCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3S/c1-16(14,15)9-5-8-12(10-13)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3.
What are the key properties of 5-methylsulfonyl-2-phenylpentan-1-ol?
5-methylsulfonyl-2-phenylpentan-1-ol has a molecular weight of 242.34 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2-phenylpentan-1-ol is sourced from PubChem (CID 66058366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).