1-(4-fluorophenyl)sulfanyl-2-phenylpropan-2-ol

C15H15FOS — CID 55068428

IUPAC1-(4-fluorophenyl)sulfanyl-2-phenylpropan-2-ol
SMILESCC(O)(CSc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H15FOS/c1-15(17,12-5-3-2-4-6-12)11-18-14-9-7-13(16)8-10-14/h2-10,17H,11H2,1H3
InChIKeyYVEFOICQJXQVPK-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.83
Rot. Bonds4

About 1-(4-fluorophenyl)sulfanyl-2-phenylpropan-2-ol

1-(4-fluorophenyl)sulfanyl-2-phenylpropan-2-ol (PubChem CID 55068428) has the molecular formula C15H15FOS and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-2-phenylpropan-2-ol
PubChem CID55068428
Molecular FormulaC15H15FOS
Molecular Weight262.35 g/mol
Exact Mass262.08
IUPAC Name1-(4-fluorophenyl)sulfanyl-2-phenylpropan-2-ol
SMILESCC(O)(CSc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H15FOS/c1-15(17,12-5-3-2-4-6-12)11-18-14-9-7-13(16)8-10-14/h2-10,17H,11H2,1H3
InChIKeyYVEFOICQJXQVPK-UHFFFAOYSA-N
XLogP3.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-phenyl-1-phenylsulfanylpropan-2-ol
CID 138965294
1-(4-nitrophenyl)sulfanyl-2-phenylpropan-2-ol
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1-(4-fluorophenyl)-2-phenylpropan-2-ol
CID 53329553
1-(3-aminophenyl)sulfanyl-2-phenylpropan-2-ol
CID 79134142
1-[1-(4-fluorophenyl)ethylamino]-2-phenylpropan-2-ol
CID 62374837
1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylpropan-2-ol
CID 62375341
2-(4-methoxyphenyl)sulfanyl-1,1-diphenylethanol
CID 2767182
2-(4-fluorophenyl)-4-phenylbutan-2-ol
CID 54919518
1-fluoro-4-[1-(4-fluorophenyl)-1-phenylethyl]benzene
CID 58537150
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
2-(4-fluorophenyl)sulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 71781980
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CID 178124027

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-2-phenylpropan-2-ol?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-2-phenylpropan-2-ol (CID 55068428) is 1-(4-fluorophenyl)sulfanyl-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-2-phenylpropan-2-ol?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-2-phenylpropan-2-ol is CC(O)(CSc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-2-phenylpropan-2-ol?
The InChIKey is YVEFOICQJXQVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FOS/c1-15(17,12-5-3-2-4-6-12)11-18-14-9-7-13(16)8-10-14/h2-10,17H,11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-2-phenylpropan-2-ol?
1-(4-fluorophenyl)sulfanyl-2-phenylpropan-2-ol has a molecular weight of 262.35 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-2-phenylpropan-2-ol is sourced from PubChem (CID 55068428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).