1-(2,3-difluoro-4-methylphenyl)-2-methylsulfanylethanol

C10H12F2OS — CID 107512869

IUPAC1-(2,3-difluoro-4-methylphenyl)-2-methylsulfanylethanol
SMILESCSCC(O)c1ccc(C)c(F)c1F
InChIInChI=1S/C10H12F2OS/c1-6-3-4-7(8(13)5-14-2)10(12)9(6)11/h3-4,8,13H,5H2,1-2H3
InChIKeyZXEXSVQFQSPVOO-UHFFFAOYSA-N
MW218.27 g/mol
LogP2.67
Rot. Bonds3

About 1-(2,3-difluoro-4-methylphenyl)-2-methylsulfanylethanol

1-(2,3-difluoro-4-methylphenyl)-2-methylsulfanylethanol (PubChem CID 107512869) has the molecular formula C10H12F2OS and a molecular weight of 218.27 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-2-methylsulfanylethanol.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-2-methylsulfanylethanol
PubChem CID107512869
Molecular FormulaC10H12F2OS
Molecular Weight218.27 g/mol
Exact Mass218.06
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-2-methylsulfanylethanol
SMILESCSCC(O)c1ccc(C)c(F)c1F
InChIInChI=1S/C10H12F2OS/c1-6-3-4-7(8(13)5-14-2)10(12)9(6)11/h3-4,8,13H,5H2,1-2H3
InChIKeyZXEXSVQFQSPVOO-UHFFFAOYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methylphenyl)-2-methylsulfanylethanol
CID 62791337
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfanylethanol
CID 106762014
1-(2-methoxy-3,4-dimethylphenyl)-2-methylsulfanylethanol
CID 103433114
1-(2,3-difluoro-4-methylphenyl)-4-phenylbutan-1-ol
CID 107516181
1-(2,3-dimethylphenyl)-2-methylsulfanylethanol
CID 62692978
2-(2,3-difluoro-4-methylphenyl)propan-1-ol
CID 117280430
1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanol
CID 116830259
1-(2,3-difluoro-4-methylphenyl)-2-(thian-4-yl)ethanol
CID 107516261
1-(2,3-difluoro-4-methylphenyl)-2-pyridin-3-ylethanol
CID 107512866
(1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine
CID 130642461
1-(2,3-difluoro-4-methylphenyl)-3-ethylpentane-1,2-diol
CID 107513057
1-(2,3-difluoro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107516243

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2-methylsulfanylethanol?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2-methylsulfanylethanol (CID 107512869) is 1-(2,3-difluoro-4-methylphenyl)-2-methylsulfanylethanol.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-2-methylsulfanylethanol?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-2-methylsulfanylethanol is CSCC(O)c1ccc(C)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-2-methylsulfanylethanol?
The InChIKey is ZXEXSVQFQSPVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2OS/c1-6-3-4-7(8(13)5-14-2)10(12)9(6)11/h3-4,8,13H,5H2,1-2H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-2-methylsulfanylethanol?
1-(2,3-difluoro-4-methylphenyl)-2-methylsulfanylethanol has a molecular weight of 218.27 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-2-methylsulfanylethanol is sourced from PubChem (CID 107512869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).