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

C10H12BrFOS — CID 171367653

IUPAC1-(6-bromo-2-fluoro-3-methylsulfanylphenyl)propan-1-ol
SMILESCCC(O)c1c(Br)ccc(SC)c1F
InChIInChI=1S/C10H12BrFOS/c1-3-7(13)9-6(11)4-5-8(14-2)10(9)12/h4-5,7,13H,3H2,1-2H3
InChIKeyLWONOSONFZYHAY-UHFFFAOYSA-N
MW279.17 g/mol
LogP3.75
Rot. Bonds3

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

1-(6-bromo-2-fluoro-3-methylsulfanylphenyl)propan-1-ol (PubChem CID 171367653) has the molecular formula C10H12BrFOS and a molecular weight of 279.17 g/mol. Its IUPAC name is 1-(6-bromo-2-fluoro-3-methylsulfanylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(6-bromo-2-fluoro-3-methylsulfanylphenyl)propan-1-ol
PubChem CID171367653
Molecular FormulaC10H12BrFOS
Molecular Weight279.17 g/mol
Exact Mass277.98
IUPAC Name1-(6-bromo-2-fluoro-3-methylsulfanylphenyl)propan-1-ol
SMILESCCC(O)c1c(Br)ccc(SC)c1F
InChIInChI=1S/C10H12BrFOS/c1-3-7(13)9-6(11)4-5-8(14-2)10(9)12/h4-5,7,13H,3H2,1-2H3
InChIKeyLWONOSONFZYHAY-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,6-dibromo-2-fluorophenyl)propan-1-ol
CID 118658154
1-(6-chloro-2-fluoro-3-methylsulfanylphenyl)propan-1-ol
CID 171366575
1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861
1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)propan-1-ol
CID 171367246
1-(3-bromo-2-chloro-6-fluorophenyl)propan-1-ol
CID 171366034
(1S)-1-(2-bromo-5-fluorophenyl)propan-1-ol
CID 103920536
4-bromo-2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 84807282
1-(2,3,4,6-tetrafluorophenyl)propan-1-ol
CID 139965748
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfanylethanol
CID 106762014
1-(6-bromo-3-chloro-2-fluorophenyl)-3-iodopropan-1-ol
CID 89405826
1-(2,4,6-trifluorophenyl)propan-1-ol
CID 61087665
1-(3-bromo-2,6-difluorophenyl)decan-1-ol
CID 106945067

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-fluoro-3-methylsulfanylphenyl)propan-1-ol?
The IUPAC name of 1-(6-bromo-2-fluoro-3-methylsulfanylphenyl)propan-1-ol (CID 171367653) is 1-(6-bromo-2-fluoro-3-methylsulfanylphenyl)propan-1-ol.
What is the SMILES notation for 1-(6-bromo-2-fluoro-3-methylsulfanylphenyl)propan-1-ol?
The canonical SMILES for 1-(6-bromo-2-fluoro-3-methylsulfanylphenyl)propan-1-ol is CCC(O)c1c(Br)ccc(SC)c1F.
What is the InChIKey of 1-(6-bromo-2-fluoro-3-methylsulfanylphenyl)propan-1-ol?
The InChIKey is LWONOSONFZYHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFOS/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-bromo-2-fluoro-3-methylsulfanylphenyl)propan-1-ol?
1-(6-bromo-2-fluoro-3-methylsulfanylphenyl)propan-1-ol has a molecular weight of 279.17 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-fluoro-3-methylsulfanylphenyl)propan-1-ol is sourced from PubChem (CID 171367653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).