1-(2-chloro-5-fluoro-4-methylphenyl)-3-methylsulfanylpropan-1-ol

C11H14ClFOS — CID 116831182

IUPAC1-(2-chloro-5-fluoro-4-methylphenyl)-3-methylsulfanylpropan-1-ol
SMILESCSCCC(O)c1cc(F)c(C)cc1Cl
InChIInChI=1S/C11H14ClFOS/c1-7-5-9(12)8(6-10(7)13)11(14)3-4-15-2/h5-6,11,14H,3-4H2,1-2H3
InChIKeyZGPGXUZAVOKOJI-UHFFFAOYSA-N
MW248.75 g/mol
LogP3.57
Rot. Bonds4

About 1-(2-chloro-5-fluoro-4-methylphenyl)-3-methylsulfanylpropan-1-ol

1-(2-chloro-5-fluoro-4-methylphenyl)-3-methylsulfanylpropan-1-ol (PubChem CID 116831182) has the molecular formula C11H14ClFOS and a molecular weight of 248.75 g/mol. Its IUPAC name is 1-(2-chloro-5-fluoro-4-methylphenyl)-3-methylsulfanylpropan-1-ol.

Molecular Properties

Compound Name1-(2-chloro-5-fluoro-4-methylphenyl)-3-methylsulfanylpropan-1-ol
PubChem CID116831182
Molecular FormulaC11H14ClFOS
Molecular Weight248.75 g/mol
Exact Mass248.04
IUPAC Name1-(2-chloro-5-fluoro-4-methylphenyl)-3-methylsulfanylpropan-1-ol
SMILESCSCCC(O)c1cc(F)c(C)cc1Cl
InChIInChI=1S/C11H14ClFOS/c1-7-5-9(12)8(6-10(7)13)11(14)3-4-15-2/h5-6,11,14H,3-4H2,1-2H3
InChIKeyZGPGXUZAVOKOJI-UHFFFAOYSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanol
CID 116830259
1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanamine
CID 116830356
1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol
CID 81045937
1-(5-chloro-2-methoxy-4-methylphenyl)-3-methylsulfanylpropan-1-ol
CID 116831112
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
1-amino-1-(2-chloro-5-fluoro-4-methylphenyl)propan-2-ol
CID 116859639
1-(2-chloro-4,5-dimethylphenyl)-4-methylpentan-1-ol
CID 115484477
1-(2-chloro-4,5-dimethylphenyl)pentan-1-ol
CID 115484513
S-[3-(2-chloro-5-fluoro-4-methylphenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170821779
(2-chloro-5-fluoro-4-methylphenyl)-(dimethylamino)methanethiol
CID 116909507
1-[5-fluoro-4-methyl-2-[methyl(2-methylsulfanylethyl)amino]phenyl]ethanol
CID 112661699

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluoro-4-methylphenyl)-3-methylsulfanylpropan-1-ol?
The IUPAC name of 1-(2-chloro-5-fluoro-4-methylphenyl)-3-methylsulfanylpropan-1-ol (CID 116831182) is 1-(2-chloro-5-fluoro-4-methylphenyl)-3-methylsulfanylpropan-1-ol.
What is the SMILES notation for 1-(2-chloro-5-fluoro-4-methylphenyl)-3-methylsulfanylpropan-1-ol?
The canonical SMILES for 1-(2-chloro-5-fluoro-4-methylphenyl)-3-methylsulfanylpropan-1-ol is CSCCC(O)c1cc(F)c(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluoro-4-methylphenyl)-3-methylsulfanylpropan-1-ol?
The InChIKey is ZGPGXUZAVOKOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFOS/c1-7-5-9(12)8(6-10(7)13)11(14)3-4-15-2/h5-6,11,14H,3-4H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluoro-4-methylphenyl)-3-methylsulfanylpropan-1-ol?
1-(2-chloro-5-fluoro-4-methylphenyl)-3-methylsulfanylpropan-1-ol has a molecular weight of 248.75 g/mol, XLogP of 3.57, 4 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)-3-methylsulfanylpropan-1-ol is sourced from PubChem (CID 116831182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).