1-phenyl-1-phenylsulfanylbutan-2-ol

C16H18OS — CID 134904927

IUPAC1-phenyl-1-phenylsulfanylbutan-2-ol
SMILESCCC(O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18OS/c1-2-15(17)16(13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h3-12,15-17H,2H2,1H3
InChIKeyXISCWOOOROXJDP-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.29
Rot. Bonds5

About 1-phenyl-1-phenylsulfanylbutan-2-ol

1-phenyl-1-phenylsulfanylbutan-2-ol (PubChem CID 134904927) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-phenyl-1-phenylsulfanylbutan-2-ol.

Molecular Properties

Compound Name1-phenyl-1-phenylsulfanylbutan-2-ol
PubChem CID134904927
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name1-phenyl-1-phenylsulfanylbutan-2-ol
SMILESCCC(O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18OS/c1-2-15(17)16(13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h3-12,15-17H,2H2,1H3
InChIKeyXISCWOOOROXJDP-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R,5R)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11595883
(2-Phenyl-2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 457216
1-Phenyl-2-(phenylsulfinyl)ethanol
CID 288472
(3S,4S,5S)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11538009
(3S,4S,5R)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11639352
5-(5-Hydroxy-4-methyl-4-phenylpentylsulfanyl)-2-methyl-2-phenylpentan-1-ol
CID 10156997
6-(6-Hydroxy-5-methyl-5-phenylhexylsulfanyl)-2-methyl-2-phenylhexan-1-ol
CID 10201894
(3S,4R,5S)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11717697
4-Phenyl-4-(phenylsulfanyl)butan-1-ol
CID 283796
1,3-Propanediol, 2-(p-(butylthio)phenyl)-2-ethyl-
CID 213096
4-Fluoro-4'-(methylthio)benzhydrol
CID 2759039
[4-(Benzylsulfanyl)phenyl]methanol
CID 4349993

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-phenylsulfanylbutan-2-ol?
The IUPAC name of 1-phenyl-1-phenylsulfanylbutan-2-ol (CID 134904927) is 1-phenyl-1-phenylsulfanylbutan-2-ol.
What is the SMILES notation for 1-phenyl-1-phenylsulfanylbutan-2-ol?
The canonical SMILES for 1-phenyl-1-phenylsulfanylbutan-2-ol is CCC(O)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-1-phenylsulfanylbutan-2-ol?
The InChIKey is XISCWOOOROXJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c1-2-15(17)16(13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h3-12,15-17H,2H2,1H3.
What are the key properties of 1-phenyl-1-phenylsulfanylbutan-2-ol?
1-phenyl-1-phenylsulfanylbutan-2-ol has a molecular weight of 258.39 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-phenylsulfanylbutan-2-ol is sourced from PubChem (CID 134904927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).