2-[3-(2-methylsulfanylphenyl)phenyl]ethanol

C15H16OS — CID 143123494

IUPAC2-[3-(2-methylsulfanylphenyl)phenyl]ethanol
SMILESCSc1ccccc1-c1cccc(CCO)c1
InChIInChI=1S/C15H16OS/c1-17-15-8-3-2-7-14(15)13-6-4-5-12(11-13)9-10-16/h2-8,11,16H,9-10H2,1H3
InChIKeyZDUGLUCTWJFGBE-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.61
Rot. Bonds4

About 2-[3-(2-methylsulfanylphenyl)phenyl]ethanol

2-[3-(2-methylsulfanylphenyl)phenyl]ethanol (PubChem CID 143123494) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-[3-(2-methylsulfanylphenyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[3-(2-methylsulfanylphenyl)phenyl]ethanol
PubChem CID143123494
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name2-[3-(2-methylsulfanylphenyl)phenyl]ethanol
SMILESCSc1ccccc1-c1cccc(CCO)c1
InChIInChI=1S/C15H16OS/c1-17-15-8-3-2-7-14(15)13-6-4-5-12(11-13)9-10-16/h2-8,11,16H,9-10H2,1H3
InChIKeyZDUGLUCTWJFGBE-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methylsulfanyl-2-(3-methylsulfanylphenyl)benzene
CID 71281372
3-(2-methylsulfanylphenyl)aniline
CID 68788837
2-(2-methylsulfanylphenyl)-6-phenylphenol
CID 142823591
2-(2-benzylsulfanylphenyl)-6-phenylphenol;2-(2-methylsulfanylphenyl)-6-phenylphenol
CID 142823589
3-[3-(2-hydroxyethyl)phenyl]phenol
CID 11413238
2-(3-pyrimidin-2-ylphenyl)ethanol
CID 142687410
[4-(2-methylsulfanylphenyl)phenyl] N-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]butyl]carbamate
CID 91007572
1-methyl-2-(3-propylphenyl)benzene
CID 143365994
2-fluoro-5-(2-methylsulfanylphenyl)aniline
CID 171456179
3-[2-[3-(2-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]phenyl]phenyl]-2-methylpropan-1-ol
CID 173039562
(2R,3S,4S,5S,6R)-2-[2-[3-(2-hydroxyethyl)phenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 54271958
2-[3-(2-methylpyrazol-3-yl)phenyl]ethanol
CID 171393091

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylsulfanylphenyl)phenyl]ethanol?
The IUPAC name of 2-[3-(2-methylsulfanylphenyl)phenyl]ethanol (CID 143123494) is 2-[3-(2-methylsulfanylphenyl)phenyl]ethanol.
What is the SMILES notation for 2-[3-(2-methylsulfanylphenyl)phenyl]ethanol?
The canonical SMILES for 2-[3-(2-methylsulfanylphenyl)phenyl]ethanol is CSc1ccccc1-c1cccc(CCO)c1.
What is the InChIKey of 2-[3-(2-methylsulfanylphenyl)phenyl]ethanol?
The InChIKey is ZDUGLUCTWJFGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-17-15-8-3-2-7-14(15)13-6-4-5-12(11-13)9-10-16/h2-8,11,16H,9-10H2,1H3.
What are the key properties of 2-[3-(2-methylsulfanylphenyl)phenyl]ethanol?
2-[3-(2-methylsulfanylphenyl)phenyl]ethanol has a molecular weight of 244.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylsulfanylphenyl)phenyl]ethanol is sourced from PubChem (CID 143123494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).