1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanol

C10H12ClFOS — CID 116830259

IUPAC1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanol
SMILESCSCC(O)c1cc(F)c(C)cc1Cl
InChIInChI=1S/C10H12ClFOS/c1-6-3-8(11)7(4-9(6)12)10(13)5-14-2/h3-4,10,13H,5H2,1-2H3
InChIKeyOQHTWOPCODTFRP-UHFFFAOYSA-N
MW234.72 g/mol
LogP3.18
Rot. Bonds3

About 1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanol

1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanol (PubChem CID 116830259) has the molecular formula C10H12ClFOS and a molecular weight of 234.72 g/mol. Its IUPAC name is 1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanol.

Molecular Properties

Compound Name1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanol
PubChem CID116830259
Molecular FormulaC10H12ClFOS
Molecular Weight234.72 g/mol
Exact Mass234.03
IUPAC Name1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanol
SMILESCSCC(O)c1cc(F)c(C)cc1Cl
InChIInChI=1S/C10H12ClFOS/c1-6-3-8(11)7(4-9(6)12)10(13)5-14-2/h3-4,10,13H,5H2,1-2H3
InChIKeyOQHTWOPCODTFRP-UHFFFAOYSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.72
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluoro-4-methylphenyl)-3-methylsulfanylpropan-1-ol
CID 116831182
1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanamine
CID 116830356
1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol
CID 81045937
1-(2-chloro-4-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 81045782
1-(2-chloro-4-fluoro-5-methylphenyl)-3,3,3-trifluoropropan-1-ol
CID 81046025
S-[3-(2-chloro-5-fluoro-4-methylphenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170821779
1-amino-1-(2-chloro-5-fluoro-4-methylphenyl)propan-2-ol
CID 116859639
(1R)-2-bromo-1-(2,4-dichloro-5-fluorophenyl)ethanol
CID 83001570
1-(5-fluoro-2-methylphenyl)-2-methylsulfanylethanol
CID 62791337
1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanol
CID 84785782
1-chloro-2,4-difluoro-5-methylbenzene
CID 58691509
1-(2,3-difluoro-4-methylphenyl)-2-methylsulfanylethanol
CID 107512869

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanol?
The IUPAC name of 1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanol (CID 116830259) is 1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanol.
What is the SMILES notation for 1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanol?
The canonical SMILES for 1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanol is CSCC(O)c1cc(F)c(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanol?
The InChIKey is OQHTWOPCODTFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFOS/c1-6-3-8(11)7(4-9(6)12)10(13)5-14-2/h3-4,10,13H,5H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanol?
1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanol has a molecular weight of 234.72 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanol is sourced from PubChem (CID 116830259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).