1-methylsulfonyl-5-phenylpentan-2-ol

C12H18O3S — CID 15270511

IUPAC1-methylsulfonyl-5-phenylpentan-2-ol
SMILESCS(=O)(=O)CC(O)CCCc1ccccc1
InChIInChI=1S/C12H18O3S/c1-16(14,15)10-12(13)9-5-8-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3
InChIKeyVQUUGYUISUQEQR-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.41
Rot. Bonds6

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

1-methylsulfonyl-5-phenylpentan-2-ol (PubChem CID 15270511) has the molecular formula C12H18O3S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-methylsulfonyl-5-phenylpentan-2-ol.

Molecular Properties

Compound Name1-methylsulfonyl-5-phenylpentan-2-ol
PubChem CID15270511
Molecular FormulaC12H18O3S
Molecular Weight242.34 g/mol
Exact Mass242.10
IUPAC Name1-methylsulfonyl-5-phenylpentan-2-ol
SMILESCS(=O)(=O)CC(O)CCCc1ccccc1
InChIInChI=1S/C12H18O3S/c1-16(14,15)10-12(13)9-5-8-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3
InChIKeyVQUUGYUISUQEQR-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methylsulfonyl-5-phenylpentan-2-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

2-methyl-2-methylsulfonyl-6-phenylhexan-3-ol
CID 115791112
(2R)-5-phenylpentane-1,2-diol
CID 102483629
1-methylsulfonyl-4-phenylbutan-2-amine
CID 115601043
1-(dimethylamino)-5-phenylpentan-2-ol
CID 79087865
1-chloro-7-phenylheptan-4-ol
CID 54140253
3-hydroxy-6-phenylhexanethioic S-acid
CID 87597942
5-phenyl-1-propan-2-yloxypentan-2-ol
CID 14984664
[(2R)-5-phenylpentan-2-yl] methanesulfonate
CID 22827842
1-(4-methylphenyl)-5-phenylpentan-2-ol
CID 62606393
3-methyl-6-phenylhexan-2-ol
CID 54498182
1-(diethylamino)-6-phenylhexan-3-ol
CID 79086968
methanesulfonic acid;4-phenylbutan-1-ol
CID 71375764

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-5-phenylpentan-2-ol?
The IUPAC name of 1-methylsulfonyl-5-phenylpentan-2-ol (CID 15270511) is 1-methylsulfonyl-5-phenylpentan-2-ol.
What is the SMILES notation for 1-methylsulfonyl-5-phenylpentan-2-ol?
The canonical SMILES for 1-methylsulfonyl-5-phenylpentan-2-ol is CS(=O)(=O)CC(O)CCCc1ccccc1.
What is the InChIKey of 1-methylsulfonyl-5-phenylpentan-2-ol?
The InChIKey is VQUUGYUISUQEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3S/c1-16(14,15)10-12(13)9-5-8-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3.
What are the key properties of 1-methylsulfonyl-5-phenylpentan-2-ol?
1-methylsulfonyl-5-phenylpentan-2-ol has a molecular weight of 242.34 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-5-phenylpentan-2-ol is sourced from PubChem (CID 15270511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).