3-phenyl-2-phenylsulfanylpropan-1-ol

C15H16OS — CID 14744646

IUPAC3-phenyl-2-phenylsulfanylpropan-1-ol
SMILESOCC(Cc1ccccc1)Sc1ccccc1
InChIInChI=1S/C15H16OS/c16-12-15(11-13-7-3-1-4-8-13)17-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKeyODXGGRRJWQGVNY-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.38
Rot. Bonds5

About 3-phenyl-2-phenylsulfanylpropan-1-ol

3-phenyl-2-phenylsulfanylpropan-1-ol (PubChem CID 14744646) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 3-phenyl-2-phenylsulfanylpropan-1-ol.

Molecular Properties

Compound Name3-phenyl-2-phenylsulfanylpropan-1-ol
PubChem CID14744646
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name3-phenyl-2-phenylsulfanylpropan-1-ol
SMILESOCC(Cc1ccccc1)Sc1ccccc1
InChIInChI=1S/C15H16OS/c16-12-15(11-13-7-3-1-4-8-13)17-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKeyODXGGRRJWQGVNY-UHFFFAOYSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(3-hydroxy-2-phenylsulfanylpropyl)phenol
CID 14468416
3-phenyl-2-phenylsulfanylpropanoate
CID 57371558
3-(1,3-diphenylpropan-2-ylsulfanyl)propan-1-ol
CID 14915891
2-(3-hydroxy-2-phenylsulfanylpropyl)-6-methoxyphenol
CID 14468411
2-phenyl-2-phenylsulfanylethanol
CID 11264720
3-phenylsulfanylbutane-1,2,4-triol
CID 54001701
(2S,4R,6S)-2,4,6-trimethyl-7-phenylheptan-1-ol
CID 15830826
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
2-benzyl-4,4,4-trifluorobutan-1-ol
CID 121208196
(3R)-3-benzyl-4-hydroxybutanenitrile
CID 11126787
2-phenylsulfanyl-2-triphenylsilylethanol
CID 10938546
(2R,3R)-4-phenylmethoxy-2-phenylsulfanylbutane-1,3-diol
CID 11243648

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-phenylsulfanylpropan-1-ol?
The IUPAC name of 3-phenyl-2-phenylsulfanylpropan-1-ol (CID 14744646) is 3-phenyl-2-phenylsulfanylpropan-1-ol.
What is the SMILES notation for 3-phenyl-2-phenylsulfanylpropan-1-ol?
The canonical SMILES for 3-phenyl-2-phenylsulfanylpropan-1-ol is OCC(Cc1ccccc1)Sc1ccccc1.
What is the InChIKey of 3-phenyl-2-phenylsulfanylpropan-1-ol?
The InChIKey is ODXGGRRJWQGVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c16-12-15(11-13-7-3-1-4-8-13)17-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2.
What are the key properties of 3-phenyl-2-phenylsulfanylpropan-1-ol?
3-phenyl-2-phenylsulfanylpropan-1-ol has a molecular weight of 244.36 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-phenylsulfanylpropan-1-ol is sourced from PubChem (CID 14744646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).