1-[3-(2-phenylethylsulfanyl)phenyl]ethanol

C16H18OS — CID 64665944

IUPAC1-[3-(2-phenylethylsulfanyl)phenyl]ethanol
SMILESCC(O)c1cccc(SCCc2ccccc2)c1
InChIInChI=1S/C16H18OS/c1-13(17)15-8-5-9-16(12-15)18-11-10-14-6-3-2-4-7-14/h2-9,12-13,17H,10-11H2,1H3
InChIKeyAUNRRZPMJYZMTM-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.07
Rot. Bonds5

About 1-[3-(2-phenylethylsulfanyl)phenyl]ethanol

1-[3-(2-phenylethylsulfanyl)phenyl]ethanol (PubChem CID 64665944) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-[3-(2-phenylethylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-(2-phenylethylsulfanyl)phenyl]ethanol
PubChem CID64665944
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name1-[3-(2-phenylethylsulfanyl)phenyl]ethanol
SMILESCC(O)c1cccc(SCCc2ccccc2)c1
InChIInChI=1S/C16H18OS/c1-13(17)15-8-5-9-16(12-15)18-11-10-14-6-3-2-4-7-14/h2-9,12-13,17H,10-11H2,1H3
InChIKeyAUNRRZPMJYZMTM-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[3-(phenylmethoxymethylsulfanyl)phenyl]ethanol
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1-[3-(3-methylbut-3-enylsulfanyl)phenyl]ethanol
CID 114476943
1-[3-[(3,5-difluorophenyl)methylsulfanyl]phenyl]ethanol
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3-hydroxy-3-[3-(3-phenylpropylsulfanyl)phenyl]propanenitrile
CID 67130373
1-(3-but-2-enylsulfanylphenyl)ethanol
CID 77055275
2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665949
3-[[3-(1-hydroxyethyl)phenyl]sulfanylmethyl]benzonitrile
CID 64665540
4-[3-(1-hydroxyethyl)phenyl]sulfanyl-N,N-dimethylbutanamide
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CID 64664899

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-phenylethylsulfanyl)phenyl]ethanol?
The IUPAC name of 1-[3-(2-phenylethylsulfanyl)phenyl]ethanol (CID 64665944) is 1-[3-(2-phenylethylsulfanyl)phenyl]ethanol.
What is the SMILES notation for 1-[3-(2-phenylethylsulfanyl)phenyl]ethanol?
The canonical SMILES for 1-[3-(2-phenylethylsulfanyl)phenyl]ethanol is CC(O)c1cccc(SCCc2ccccc2)c1.
What is the InChIKey of 1-[3-(2-phenylethylsulfanyl)phenyl]ethanol?
The InChIKey is AUNRRZPMJYZMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c1-13(17)15-8-5-9-16(12-15)18-11-10-14-6-3-2-4-7-14/h2-9,12-13,17H,10-11H2,1H3.
What are the key properties of 1-[3-(2-phenylethylsulfanyl)phenyl]ethanol?
1-[3-(2-phenylethylsulfanyl)phenyl]ethanol has a molecular weight of 258.39 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-phenylethylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 64665944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).