3-methyl-1-(4-propylsulfonylphenyl)butan-2-ol

C14H22O3S — CID 63205185

IUPAC3-methyl-1-(4-propylsulfonylphenyl)butan-2-ol
SMILESCCCS(=O)(=O)c1ccc(CC(O)C(C)C)cc1
InChIInChI=1S/C14H22O3S/c1-4-9-18(16,17)13-7-5-12(6-8-13)10-14(15)11(2)3/h5-8,11,14-15H,4,9-10H2,1-3H3
InChIKeyJFSBMNXRYJFBMS-UHFFFAOYSA-N
MW270.39 g/mol
LogP2.43
Rot. Bonds6

About 3-methyl-1-(4-propylsulfonylphenyl)butan-2-ol

3-methyl-1-(4-propylsulfonylphenyl)butan-2-ol (PubChem CID 63205185) has the molecular formula C14H22O3S and a molecular weight of 270.39 g/mol. Its IUPAC name is 3-methyl-1-(4-propylsulfonylphenyl)butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(4-propylsulfonylphenyl)butan-2-ol
PubChem CID63205185
Molecular FormulaC14H22O3S
Molecular Weight270.39 g/mol
Exact Mass270.13
IUPAC Name3-methyl-1-(4-propylsulfonylphenyl)butan-2-ol
SMILESCCCS(=O)(=O)c1ccc(CC(O)C(C)C)cc1
InChIInChI=1S/C14H22O3S/c1-4-9-18(16,17)13-7-5-12(6-8-13)10-14(15)11(2)3/h5-8,11,14-15H,4,9-10H2,1-3H3
InChIKeyJFSBMNXRYJFBMS-UHFFFAOYSA-N
XLogP2.43
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-(4-propylsulfonylphenyl)butan-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

3,3-dimethyl-1-(4-propylsulfonylphenyl)butan-2-ol
CID 63200994
3-(4-propylsulfonylphenyl)propanoic acid
CID 43140837
(4-propylsulfonylphenyl)methanamine
CID 57438061
4-propylsulfonylbenzenesulfonic acid
CID 163962227
3-[4-(2-methylpropyl)phenyl]sulfonylpropanoic acid
CID 93189570
1-(2-bromo-4-methylpentan-3-yl)-4-propylsulfonylbenzene
CID 63205484
1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 60797754
N-(4-propylsulfonylphenyl)hydroxylamine
CID 130500550
4-methyl-1-(4-propylsulfonylanilino)pentan-2-ol
CID 107153331
methyl 3-(4-propylsulfonylphenyl)propanoate
CID 82550632
2-(N-propan-2-yl-4-propylsulfonylanilino)ethanol
CID 61147145
1-(3-chloropropylsulfonyl)-4-(2-methylpropyl)benzene
CID 93189797

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-propylsulfonylphenyl)butan-2-ol?
The IUPAC name of 3-methyl-1-(4-propylsulfonylphenyl)butan-2-ol (CID 63205185) is 3-methyl-1-(4-propylsulfonylphenyl)butan-2-ol.
What is the SMILES notation for 3-methyl-1-(4-propylsulfonylphenyl)butan-2-ol?
The canonical SMILES for 3-methyl-1-(4-propylsulfonylphenyl)butan-2-ol is CCCS(=O)(=O)c1ccc(CC(O)C(C)C)cc1.
What is the InChIKey of 3-methyl-1-(4-propylsulfonylphenyl)butan-2-ol?
The InChIKey is JFSBMNXRYJFBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3S/c1-4-9-18(16,17)13-7-5-12(6-8-13)10-14(15)11(2)3/h5-8,11,14-15H,4,9-10H2,1-3H3.
What are the key properties of 3-methyl-1-(4-propylsulfonylphenyl)butan-2-ol?
3-methyl-1-(4-propylsulfonylphenyl)butan-2-ol has a molecular weight of 270.39 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-propylsulfonylphenyl)butan-2-ol is sourced from PubChem (CID 63205185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).