1-(2,3-dimethylphenyl)-2-methylsulfanylethanol

C11H16OS — CID 62692978

IUPAC1-(2,3-dimethylphenyl)-2-methylsulfanylethanol
SMILESCSCC(O)c1cccc(C)c1C
InChIInChI=1S/C11H16OS/c1-8-5-4-6-10(9(8)2)11(12)7-13-3/h4-6,11-12H,7H2,1-3H3
InChIKeyYFCDPPGYEMBBLJ-UHFFFAOYSA-N
MW196.31 g/mol
LogP2.70
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-2-methylsulfanylethanol

1-(2,3-dimethylphenyl)-2-methylsulfanylethanol (PubChem CID 62692978) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-methylsulfanylethanol.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-methylsulfanylethanol
PubChem CID62692978
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name1-(2,3-dimethylphenyl)-2-methylsulfanylethanol
SMILESCSCC(O)c1cccc(C)c1C
InChIInChI=1S/C11H16OS/c1-8-5-4-6-10(9(8)2)11(12)7-13-3/h4-6,11-12H,7H2,1-3H3
InChIKeyYFCDPPGYEMBBLJ-UHFFFAOYSA-N
XLogP2.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentylsulfanyl-1-(2,3-dimethylphenyl)ethanol
CID 65138645
2-(4-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethanol
CID 66056466
2-(2-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethanol
CID 66144051
1-(2,3-dimethylphenyl)-N-methyl-2-methylsulfanylethanamine
CID 62691947
1-(2,3-dimethylphenyl)-2-methylsulfonylethanol
CID 115601467
1-(2,3-dimethylphenyl)octan-1-ol
CID 63900365
1-(2-methoxy-3,4-dimethylphenyl)-2-methylsulfanylethanol
CID 103433114
4-(2,3-dimethylphenyl)-4-hydroxybutanenitrile
CID 130655462
2-cyclopentyl-1-(2,3-dimethylphenyl)ethanol
CID 65148302
1-(2,3-dimethylphenyl)-3-phenylbutan-1-ol
CID 63899543
1,2-dimethyl-3-(1-methylsulfanylethyl)benzene
CID 86182436
1-(2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 22486887

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-methylsulfanylethanol?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-methylsulfanylethanol (CID 62692978) is 1-(2,3-dimethylphenyl)-2-methylsulfanylethanol.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-methylsulfanylethanol?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-methylsulfanylethanol is CSCC(O)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-methylsulfanylethanol?
The InChIKey is YFCDPPGYEMBBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-8-5-4-6-10(9(8)2)11(12)7-13-3/h4-6,11-12H,7H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-methylsulfanylethanol?
1-(2,3-dimethylphenyl)-2-methylsulfanylethanol has a molecular weight of 196.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2-methylsulfanylethanol is sourced from PubChem (CID 62692978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).