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

C16H16Br2O2S — CID 66142881

IUPAC1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol
SMILESCOc1ccc(Br)c(CC(O)CSc2ccccc2Br)c1
InChIInChI=1S/C16H16Br2O2S/c1-20-13-6-7-14(17)11(9-13)8-12(19)10-21-16-5-3-2-4-15(16)18/h2-7,9,12,19H,8,10H2,1H3
InChIKeyKDQDGXNSGLRNBC-UHFFFAOYSA-N
MW432.18 g/mol
LogP4.92
Rot. Bonds6

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

1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol (PubChem CID 66142881) has the molecular formula C16H16Br2O2S and a molecular weight of 432.18 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol
PubChem CID66142881
Molecular FormulaC16H16Br2O2S
Molecular Weight432.18 g/mol
Exact Mass429.92
IUPAC Name1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol
SMILESCOc1ccc(Br)c(CC(O)CSc2ccccc2Br)c1
InChIInChI=1S/C16H16Br2O2S/c1-20-13-6-7-14(17)11(9-13)8-12(19)10-21-16-5-3-2-4-15(16)18/h2-7,9,12,19H,8,10H2,1H3
InChIKeyKDQDGXNSGLRNBC-UHFFFAOYSA-N
XLogP4.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.18
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
CID 66070196
1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol
CID 65327415
1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol
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1-(2-bromo-5-methoxyphenyl)-3-butan-2-ylsulfanylpropan-2-ol
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1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-one
CID 66145597
1-(2-bromo-5-methoxyphenyl)-4-phenylbutan-2-ol
CID 65327369
2-(2-bromophenyl)sulfanyl-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 103395414
1-(2-bromo-5-methoxyphenyl)-4-methoxypentan-2-ol
CID 113391274
1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 115801395
1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096526
1-(2-bromo-5-methoxyphenyl)-5-methoxypentan-2-ol
CID 65325734
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol
CID 65328089

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol (CID 66142881) is 1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol is COc1ccc(Br)c(CC(O)CSc2ccccc2Br)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol?
The InChIKey is KDQDGXNSGLRNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O2S/c1-20-13-6-7-14(17)11(9-13)8-12(19)10-21-16-5-3-2-4-15(16)18/h2-7,9,12,19H,8,10H2,1H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol?
1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol has a molecular weight of 432.18 g/mol, XLogP of 4.92, 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-(2-bromophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 66142881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).