4-methyl-1-methylsulfonyl-4-phenylpentan-3-ol

C13H20O3S — CID 55180745

IUPAC4-methyl-1-methylsulfonyl-4-phenylpentan-3-ol
SMILESCC(C)(c1ccccc1)C(O)CCS(C)(=O)=O
InChIInChI=1S/C13H20O3S/c1-13(2,11-7-5-4-6-8-11)12(14)9-10-17(3,15)16/h4-8,12,14H,9-10H2,1-3H3
InChIKeyCEIVIOWHOUYITI-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.76
Rot. Bonds5

About 4-methyl-1-methylsulfonyl-4-phenylpentan-3-ol

4-methyl-1-methylsulfonyl-4-phenylpentan-3-ol (PubChem CID 55180745) has the molecular formula C13H20O3S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-methyl-1-methylsulfonyl-4-phenylpentan-3-ol.

Molecular Properties

Compound Name4-methyl-1-methylsulfonyl-4-phenylpentan-3-ol
PubChem CID55180745
Molecular FormulaC13H20O3S
Molecular Weight256.37 g/mol
Exact Mass256.11
IUPAC Name4-methyl-1-methylsulfonyl-4-phenylpentan-3-ol
SMILESCC(C)(c1ccccc1)C(O)CCS(C)(=O)=O
InChIInChI=1S/C13H20O3S/c1-13(2,11-7-5-4-6-8-11)12(14)9-10-17(3,15)16/h4-8,12,14H,9-10H2,1-3H3
InChIKeyCEIVIOWHOUYITI-UHFFFAOYSA-N
XLogP1.76
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-methylsulfonyl-4-phenylpentan-3-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-6-methylsulfonyl-2-phenyl-N-propylhexan-3-amine
CID 63192548
(1-bromo-2-methylsulfonyl-1-phenylethyl)benzene
CID 56996974
4-methylsulfonyl-2-phenylbutanoic acid
CID 65429649
1-(4-ethylphenyl)-3-methyl-3-phenylbutan-2-ol
CID 63085891
1-(4-bromophenyl)-3-methyl-3-phenylbutan-2-ol
CID 63083837
6-methylsulfonyl-3-phenylhexan-3-ol
CID 65146576
2-cyano-3,3-diphenylbutanoic acid
CID 19781187
4-(diethylamino)-4-methyl-1-methylsulfonylpentan-3-ol
CID 79053348
3-methylsulfonyl-1-(2-phenyltriazol-4-yl)propan-1-ol
CID 114983866
4-methylsulfonyl-1-(4-phenylphenyl)butan-1-ol
CID 65148469
1-(furan-2-yl)-3-methyl-3-phenylbutan-2-ol
CID 83172363
2,4-dimethyl-2-phenyl(313C)pentan-3-ol
CID 12036606

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-methylsulfonyl-4-phenylpentan-3-ol?
The IUPAC name of 4-methyl-1-methylsulfonyl-4-phenylpentan-3-ol (CID 55180745) is 4-methyl-1-methylsulfonyl-4-phenylpentan-3-ol.
What is the SMILES notation for 4-methyl-1-methylsulfonyl-4-phenylpentan-3-ol?
The canonical SMILES for 4-methyl-1-methylsulfonyl-4-phenylpentan-3-ol is CC(C)(c1ccccc1)C(O)CCS(C)(=O)=O.
What is the InChIKey of 4-methyl-1-methylsulfonyl-4-phenylpentan-3-ol?
The InChIKey is CEIVIOWHOUYITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3S/c1-13(2,11-7-5-4-6-8-11)12(14)9-10-17(3,15)16/h4-8,12,14H,9-10H2,1-3H3.
What are the key properties of 4-methyl-1-methylsulfonyl-4-phenylpentan-3-ol?
4-methyl-1-methylsulfonyl-4-phenylpentan-3-ol has a molecular weight of 256.37 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-methylsulfonyl-4-phenylpentan-3-ol is sourced from PubChem (CID 55180745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).