1-(2-bromo-5-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol

C16H16BrFO2S — CID 66070196

IUPAC1-(2-bromo-5-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
SMILESCOc1ccc(Br)c(CC(O)CSc2cccc(F)c2)c1
InChIInChI=1S/C16H16BrFO2S/c1-20-14-5-6-16(17)11(8-14)7-13(19)10-21-15-4-2-3-12(18)9-15/h2-6,8-9,13,19H,7,10H2,1H3
InChIKeyBURIYMARGSBOAF-UHFFFAOYSA-N
MW371.27 g/mol
LogP4.29
Rot. Bonds6

About 1-(2-bromo-5-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol

1-(2-bromo-5-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol (PubChem CID 66070196) has the molecular formula C16H16BrFO2S and a molecular weight of 371.27 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
PubChem CID66070196
Molecular FormulaC16H16BrFO2S
Molecular Weight371.27 g/mol
Exact Mass370.00
IUPAC Name1-(2-bromo-5-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
SMILESCOc1ccc(Br)c(CC(O)CSc2cccc(F)c2)c1
InChIInChI=1S/C16H16BrFO2S/c1-20-14-5-6-16(17)11(8-14)7-13(19)10-21-15-4-2-3-12(18)9-15/h2-6,8-9,13,19H,7,10H2,1H3
InChIKeyBURIYMARGSBOAF-UHFFFAOYSA-N
XLogP4.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.27
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromo-5-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol
CID 66142881
1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanylpropan-2-ol
CID 66161561
1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 115801395
3-(2-bromo-5-methoxyphenyl)-2-(3-fluorophenyl)propanoic acid
CID 79431080
1-(2-bromo-5-methoxyphenyl)-3-(3,5-difluorophenyl)propan-2-ol
CID 65325344
3-(2-bromo-5-methoxyphenyl)-2-(3-fluorophenyl)propan-1-amine
CID 79440611
1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol
CID 65325394
1-(2-bromo-5-methoxyphenyl)-3-butan-2-ylsulfanylpropan-2-ol
CID 65325108
1-(2,4-difluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
CID 66071849
1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
CID 66070207
1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol
CID 65327415
1-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)propan-2-ol
CID 65325440

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol (CID 66070196) is 1-(2-bromo-5-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol is COc1ccc(Br)c(CC(O)CSc2cccc(F)c2)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol?
The InChIKey is BURIYMARGSBOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO2S/c1-20-14-5-6-16(17)11(8-14)7-13(19)10-21-15-4-2-3-12(18)9-15/h2-6,8-9,13,19H,7,10H2,1H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol?
1-(2-bromo-5-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol has a molecular weight of 371.27 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 66070196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).