1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol

C16H17BrOS — CID 66096526

IUPAC1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
SMILESCc1ccccc1SCC(O)Cc1ccccc1Br
InChIInChI=1S/C16H17BrOS/c1-12-6-2-5-9-16(12)19-11-14(18)10-13-7-3-4-8-15(13)17/h2-9,14,18H,10-11H2,1H3
InChIKeyGWPKJXUHYDPAEO-UHFFFAOYSA-N
MW337.28 g/mol
LogP4.45
Rot. Bonds5

About 1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol

1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol (PubChem CID 66096526) has the molecular formula C16H17BrOS and a molecular weight of 337.28 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
PubChem CID66096526
Molecular FormulaC16H17BrOS
Molecular Weight337.28 g/mol
Exact Mass336.02
IUPAC Name1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
SMILESCc1ccccc1SCC(O)Cc1ccccc1Br
InChIInChI=1S/C16H17BrOS/c1-12-6-2-5-9-16(12)19-11-14(18)10-13-7-3-4-8-15(13)17/h2-9,14,18H,10-11H2,1H3
InChIKeyGWPKJXUHYDPAEO-UHFFFAOYSA-N
XLogP4.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098425
1-(2-bromophenyl)-3-methylsulfanylpropan-2-ol
CID 62692341
1-(2,5-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096524
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096318
1-(2,6-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66097992
1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol
CID 66142881
1-(ethylamino)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 60892013
1-(5-chloro-2-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096098
(2R)-1-(2-bromophenyl)pentan-2-ol
CID 93312348
1-(2-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-ol
CID 66143470
1-(2-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-ol
CID 66145226
1-(2-bromophenyl)sulfanylpentan-2-ol
CID 66144436

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol (CID 66096526) is 1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol is Cc1ccccc1SCC(O)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol?
The InChIKey is GWPKJXUHYDPAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrOS/c1-12-6-2-5-9-16(12)19-11-14(18)10-13-7-3-4-8-15(13)17/h2-9,14,18H,10-11H2,1H3.
What are the key properties of 1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol?
1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol has a molecular weight of 337.28 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 66096526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).