2-(2-bromophenyl)sulfanyl-1-(2-fluoro-4-methoxyphenyl)ethanol

C15H14BrFO2S — CID 103395414

IUPAC2-(2-bromophenyl)sulfanyl-1-(2-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CSc2ccccc2Br)c(F)c1
InChIInChI=1S/C15H14BrFO2S/c1-19-10-6-7-11(13(17)8-10)14(18)9-20-15-5-3-2-4-12(15)16/h2-8,14,18H,9H2,1H3
InChIKeyPUKPEHGMVDPYEK-UHFFFAOYSA-N
MW357.24 g/mol
LogP4.42
Rot. Bonds5

About 2-(2-bromophenyl)sulfanyl-1-(2-fluoro-4-methoxyphenyl)ethanol

2-(2-bromophenyl)sulfanyl-1-(2-fluoro-4-methoxyphenyl)ethanol (PubChem CID 103395414) has the molecular formula C15H14BrFO2S and a molecular weight of 357.24 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-1-(2-fluoro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-1-(2-fluoro-4-methoxyphenyl)ethanol
PubChem CID103395414
Molecular FormulaC15H14BrFO2S
Molecular Weight357.24 g/mol
Exact Mass355.99
IUPAC Name2-(2-bromophenyl)sulfanyl-1-(2-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CSc2ccccc2Br)c(F)c1
InChIInChI=1S/C15H14BrFO2S/c1-19-10-6-7-11(13(17)8-10)14(18)9-20-15-5-3-2-4-12(15)16/h2-8,14,18H,9H2,1H3
InChIKeyPUKPEHGMVDPYEK-UHFFFAOYSA-N
XLogP4.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanol
CID 103395386
1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol
CID 66142881
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanol
CID 66145607
2-(2-chlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 61080545
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 105405786
1-(2-fluoro-4-methoxyphenyl)-2-propan-2-yloxyethanol
CID 81304350
1-(2,4-dimethoxyphenyl)-2-phenylsulfanylethanol
CID 65141920
2-(2-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethanol
CID 66144051
2-(2-bromophenyl)sulfanyl-1-(5,6-dimethoxypyrazin-2-yl)ethanol
CID 166952079
1-(2-fluoro-4-methoxyphenyl)-2-propoxyethanol
CID 81304349
4-(2-fluoro-4-methoxyphenyl)-4-hydroxybutanoic acid
CID 43561615

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(2-fluoro-4-methoxyphenyl)ethanol?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(2-fluoro-4-methoxyphenyl)ethanol (CID 103395414) is 2-(2-bromophenyl)sulfanyl-1-(2-fluoro-4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-1-(2-fluoro-4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-1-(2-fluoro-4-methoxyphenyl)ethanol is COc1ccc(C(O)CSc2ccccc2Br)c(F)c1.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-1-(2-fluoro-4-methoxyphenyl)ethanol?
The InChIKey is PUKPEHGMVDPYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2S/c1-19-10-6-7-11(13(17)8-10)14(18)9-20-15-5-3-2-4-12(15)16/h2-8,14,18H,9H2,1H3.
What are the key properties of 2-(2-bromophenyl)sulfanyl-1-(2-fluoro-4-methoxyphenyl)ethanol?
2-(2-bromophenyl)sulfanyl-1-(2-fluoro-4-methoxyphenyl)ethanol has a molecular weight of 357.24 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-1-(2-fluoro-4-methoxyphenyl)ethanol is sourced from PubChem (CID 103395414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).