1-(2-fluoro-3-sulfanylphenyl)-1-phenylpropan-1-ol

C15H15FOS — CID 22401587

IUPAC1-(2-fluoro-3-sulfanylphenyl)-1-phenylpropan-1-ol
SMILESCCC(O)(c1ccccc1)c1cccc(S)c1F
InChIInChI=1S/C15H15FOS/c1-2-15(17,11-7-4-3-5-8-11)12-9-6-10-13(18)14(12)16/h3-10,17-18H,2H2,1H3
InChIKeyUTGVGBQHWXZEIU-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.76
Rot. Bonds3

About 1-(2-fluoro-3-sulfanylphenyl)-1-phenylpropan-1-ol

1-(2-fluoro-3-sulfanylphenyl)-1-phenylpropan-1-ol (PubChem CID 22401587) has the molecular formula C15H15FOS and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(2-fluoro-3-sulfanylphenyl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-3-sulfanylphenyl)-1-phenylpropan-1-ol
PubChem CID22401587
Molecular FormulaC15H15FOS
Molecular Weight262.35 g/mol
Exact Mass262.08
IUPAC Name1-(2-fluoro-3-sulfanylphenyl)-1-phenylpropan-1-ol
SMILESCCC(O)(c1ccccc1)c1cccc(S)c1F
InChIInChI=1S/C15H15FOS/c1-2-15(17,11-7-4-3-5-8-11)12-9-6-10-13(18)14(12)16/h3-10,17-18H,2H2,1H3
InChIKeyUTGVGBQHWXZEIU-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,1-Diphenylethanol
CID 69031
1,2-Diphenyl-2-propanol
CID 95356
1,1-Diphenylpropan-1-ol
CID 226149
Diphenyl(trifluoromethyl)carbinol
CID 238346
1-(4-Fluorophenyl)cyclohexanol
CID 261544
1-(3-Fluorophenyl)cyclohexan-1-ol
CID 2802229
1,1,1,3,3,3-Hexafluoro-2-(4-(p-tolylthio)phenyl)propan-2-ol
CID 52949995
2,2-Difluoro-1,1-diphenylethanol
CID 2303871
2-Fluorotriphenylmethanol
CID 5240599
2-(4-Fluorophenyl)-2-propanol
CID 637733
3-(4-Fluorophenyl)pentan-3-ol
CID 11041356
4-Fluoro-alpha-methyl-alpha-phenylbenZenemethanol
CID 12697054

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-sulfanylphenyl)-1-phenylpropan-1-ol?
The IUPAC name of 1-(2-fluoro-3-sulfanylphenyl)-1-phenylpropan-1-ol (CID 22401587) is 1-(2-fluoro-3-sulfanylphenyl)-1-phenylpropan-1-ol.
What is the SMILES notation for 1-(2-fluoro-3-sulfanylphenyl)-1-phenylpropan-1-ol?
The canonical SMILES for 1-(2-fluoro-3-sulfanylphenyl)-1-phenylpropan-1-ol is CCC(O)(c1ccccc1)c1cccc(S)c1F.
What is the InChIKey of 1-(2-fluoro-3-sulfanylphenyl)-1-phenylpropan-1-ol?
The InChIKey is UTGVGBQHWXZEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FOS/c1-2-15(17,11-7-4-3-5-8-11)12-9-6-10-13(18)14(12)16/h3-10,17-18H,2H2,1H3.
What are the key properties of 1-(2-fluoro-3-sulfanylphenyl)-1-phenylpropan-1-ol?
1-(2-fluoro-3-sulfanylphenyl)-1-phenylpropan-1-ol has a molecular weight of 262.35 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-sulfanylphenyl)-1-phenylpropan-1-ol is sourced from PubChem (CID 22401587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).