3-(2,2-diphenylethylsulfonyl)propan-1-ol

C17H20O3S — CID 58218199

IUPAC3-(2,2-diphenylethylsulfonyl)propan-1-ol
SMILESO=S(=O)(CCCO)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20O3S/c18-12-7-13-21(19,20)14-17(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2
InChIKeyWPWBCJQZJDKWKT-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.62
Rot. Bonds7

About 3-(2,2-diphenylethylsulfonyl)propan-1-ol

3-(2,2-diphenylethylsulfonyl)propan-1-ol (PubChem CID 58218199) has the molecular formula C17H20O3S and a molecular weight of 304.41 g/mol. Its IUPAC name is 3-(2,2-diphenylethylsulfonyl)propan-1-ol.

Molecular Properties

Compound Name3-(2,2-diphenylethylsulfonyl)propan-1-ol
PubChem CID58218199
Molecular FormulaC17H20O3S
Molecular Weight304.41 g/mol
Exact Mass304.11
IUPAC Name3-(2,2-diphenylethylsulfonyl)propan-1-ol
SMILESO=S(=O)(CCCO)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20O3S/c18-12-7-13-21(19,20)14-17(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2
InChIKeyWPWBCJQZJDKWKT-UHFFFAOYSA-N
XLogP2.62
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-butylsulfonyl-1-phenylethyl)benzene
CID 58218103
2,2-diphenylethanesulfonamide
CID 68954742
4-benzylsulfonylbutan-1-ol
CID 68839757
(2-methylsulfonyl-1-phenylethyl)benzene
CID 23546848
3-[(2R)-2-(2-ethynylphenyl)propyl]sulfonylpropan-1-ol
CID 58218158
5-ethylsulfonyl-1-phenylpentan-1-ol
CID 65095328
1-phenylethanesulfonic acid
CID 10997746
3-(4-phenylphenyl)sulfonylpropan-1-ol
CID 11659134
N-benzhydryl-2-hydroxyethanesulfonamide
CID 79589039
3-(3-hydroxy-3-phenylpropyl)sulfonyl-1-phenylpropan-1-ol
CID 13482580
2-anilino-3-octylsulfonylpropan-1-ol
CID 13430478
N-(4-hydroxy-1-phenylbutyl)propane-1-sulfonamide
CID 111448436

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-diphenylethylsulfonyl)propan-1-ol?
The IUPAC name of 3-(2,2-diphenylethylsulfonyl)propan-1-ol (CID 58218199) is 3-(2,2-diphenylethylsulfonyl)propan-1-ol.
What is the SMILES notation for 3-(2,2-diphenylethylsulfonyl)propan-1-ol?
The canonical SMILES for 3-(2,2-diphenylethylsulfonyl)propan-1-ol is O=S(=O)(CCCO)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(2,2-diphenylethylsulfonyl)propan-1-ol?
The InChIKey is WPWBCJQZJDKWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3S/c18-12-7-13-21(19,20)14-17(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2.
What are the key properties of 3-(2,2-diphenylethylsulfonyl)propan-1-ol?
3-(2,2-diphenylethylsulfonyl)propan-1-ol has a molecular weight of 304.41 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-diphenylethylsulfonyl)propan-1-ol is sourced from PubChem (CID 58218199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).