3,3-diphenyl-1-sulfinylpropan-1-ol

C15H14O2S — CID 141113037

IUPAC3,3-diphenyl-1-sulfinylpropan-1-ol
SMILESO=S=C(O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O2S/c16-15(18-17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14,16H,11H2
InChIKeyWTWXJDXKCKEHQZ-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.11
Rot. Bonds4

About 3,3-diphenyl-1-sulfinylpropan-1-ol

3,3-diphenyl-1-sulfinylpropan-1-ol (PubChem CID 141113037) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 3,3-diphenyl-1-sulfinylpropan-1-ol.

Molecular Properties

Compound Name3,3-diphenyl-1-sulfinylpropan-1-ol
PubChem CID141113037
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name3,3-diphenyl-1-sulfinylpropan-1-ol
SMILESO=S=C(O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O2S/c16-15(18-17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14,16H,11H2
InChIKeyWTWXJDXKCKEHQZ-UHFFFAOYSA-N
XLogP3.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3,3-diphenylpropanamide
CID 3373592
3,3-diphenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 3112974
(3S)-3-(3-chlorophenyl)-3-phenylpropanamide
CID 125467279
3,3-diphenyl-N-(trideuteriomethyl)propanamide
CID 46782233
N-(3,3-diphenylpropanoyl)benzamide
CID 101440172
(3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one
CID 86338470
oxalic acid;1-phenylpropylbenzene
CID 67824543
2-(3,3-diphenylpropanoylamino)propanediamide
CID 31062875
3,3-diphenyl-N-propylpropanamide
CID 4638647
(3S)-3-(4-methylphenyl)-3-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 2249230
(2R)-2-phenyl-2-(trifluoromethylsulfanyl)ethanol
CID 100941135
3,3-diphenyl-N'-sulfanylpropanimidamide;hydrochloride
CID 22758884

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-1-sulfinylpropan-1-ol?
The IUPAC name of 3,3-diphenyl-1-sulfinylpropan-1-ol (CID 141113037) is 3,3-diphenyl-1-sulfinylpropan-1-ol.
What is the SMILES notation for 3,3-diphenyl-1-sulfinylpropan-1-ol?
The canonical SMILES for 3,3-diphenyl-1-sulfinylpropan-1-ol is O=S=C(O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-diphenyl-1-sulfinylpropan-1-ol?
The InChIKey is WTWXJDXKCKEHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c16-15(18-17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14,16H,11H2.
What are the key properties of 3,3-diphenyl-1-sulfinylpropan-1-ol?
3,3-diphenyl-1-sulfinylpropan-1-ol has a molecular weight of 258.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-1-sulfinylpropan-1-ol is sourced from PubChem (CID 141113037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).