1-(6-chloro-2-fluoro-3-methylsulfanylphenyl)propan-1-ol

C10H12ClFOS — CID 171366575

IUPAC1-(6-chloro-2-fluoro-3-methylsulfanylphenyl)propan-1-ol
SMILESCCC(O)c1c(Cl)ccc(SC)c1F
InChIInChI=1S/C10H12ClFOS/c1-3-7(13)9-6(11)4-5-8(14-2)10(9)12/h4-5,7,13H,3H2,1-2H3
InChIKeyNEIVIRBZGUFJCH-UHFFFAOYSA-N
MW234.72 g/mol
LogP3.64
Rot. Bonds3

About 1-(6-chloro-2-fluoro-3-methylsulfanylphenyl)propan-1-ol

1-(6-chloro-2-fluoro-3-methylsulfanylphenyl)propan-1-ol (PubChem CID 171366575) has the molecular formula C10H12ClFOS and a molecular weight of 234.72 g/mol. Its IUPAC name is 1-(6-chloro-2-fluoro-3-methylsulfanylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(6-chloro-2-fluoro-3-methylsulfanylphenyl)propan-1-ol
PubChem CID171366575
Molecular FormulaC10H12ClFOS
Molecular Weight234.72 g/mol
Exact Mass234.03
IUPAC Name1-(6-chloro-2-fluoro-3-methylsulfanylphenyl)propan-1-ol
SMILESCCC(O)c1c(Cl)ccc(SC)c1F
InChIInChI=1S/C10H12ClFOS/c1-3-7(13)9-6(11)4-5-8(14-2)10(9)12/h4-5,7,13H,3H2,1-2H3
InChIKeyNEIVIRBZGUFJCH-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-bromo-2-fluoro-3-methylsulfanylphenyl)propan-1-ol
CID 171367653
1-chloro-3-fluoro-2,4-bis(methylsulfanyl)benzene
CID 171366507
1-(2-chloro-5-fluorophenyl)propan-1-ol
CID 105393866
ethyl 6-chloro-2-fluoro-3-methylsulfanylbenzoate
CID 164894969
1-(3,6-dibromo-2-fluorophenyl)propan-1-ol
CID 118658154
1-(6-chloro-2-fluoro-3-methylsulfanylphenyl)-2,2-difluoroethanone
CID 171366434
1-(3-bromo-2-chloro-6-fluorophenyl)propan-1-ol
CID 171366034
6-chloro-2-fluoro-3-methylsulfanylbenzaldehyde
CID 164891692
1-(2,3,4,6-tetrafluorophenyl)propan-1-ol
CID 139965748
1-(3-chloro-6-fluoro-2-methylphenyl)-2-(methylamino)ethanol
CID 84785778
4-chloro-3-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 84685212
1-chloro-2-fluoro-3-methoxy-4-methylsulfanylbenzene
CID 164893202

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-fluoro-3-methylsulfanylphenyl)propan-1-ol?
The IUPAC name of 1-(6-chloro-2-fluoro-3-methylsulfanylphenyl)propan-1-ol (CID 171366575) is 1-(6-chloro-2-fluoro-3-methylsulfanylphenyl)propan-1-ol.
What is the SMILES notation for 1-(6-chloro-2-fluoro-3-methylsulfanylphenyl)propan-1-ol?
The canonical SMILES for 1-(6-chloro-2-fluoro-3-methylsulfanylphenyl)propan-1-ol is CCC(O)c1c(Cl)ccc(SC)c1F.
What is the InChIKey of 1-(6-chloro-2-fluoro-3-methylsulfanylphenyl)propan-1-ol?
The InChIKey is NEIVIRBZGUFJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFOS/c1-3-7(13)9-6(11)4-5-8(14-2)10(9)12/h4-5,7,13H,3H2,1-2H3.
What are the key properties of 1-(6-chloro-2-fluoro-3-methylsulfanylphenyl)propan-1-ol?
1-(6-chloro-2-fluoro-3-methylsulfanylphenyl)propan-1-ol has a molecular weight of 234.72 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-fluoro-3-methylsulfanylphenyl)propan-1-ol is sourced from PubChem (CID 171366575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).