2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanol

C16H17BrOS — CID 66161169

IUPAC2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(O)CSc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C16H17BrOS/c1-11-6-7-15(12(2)8-11)16(18)10-19-14-5-3-4-13(17)9-14/h3-9,16,18H,10H2,1-2H3
InChIKeyYJCUVXDTSGDSOH-UHFFFAOYSA-N
MW337.28 g/mol
LogP4.89
Rot. Bonds4

About 2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanol

2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanol (PubChem CID 66161169) has the molecular formula C16H17BrOS and a molecular weight of 337.28 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanol
PubChem CID66161169
Molecular FormulaC16H17BrOS
Molecular Weight337.28 g/mol
Exact Mass336.02
IUPAC Name2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(O)CSc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C16H17BrOS/c1-11-6-7-15(12(2)8-11)16(18)10-19-14-5-3-4-13(17)9-14/h3-9,16,18H,10H2,1-2H3
InChIKeyYJCUVXDTSGDSOH-UHFFFAOYSA-N
XLogP4.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanamine
CID 64634951
1-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanol
CID 66064203
1-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol
CID 66088132
1-(3-bromophenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 66159990
2-(3-bromophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanol
CID 107128535
1-(3-bromophenyl)sulfanyl-4-methylpentan-2-ol
CID 66159590
1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethanol
CID 66052290
[2-(3-bromophenyl)sulfanyl-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105238344
2-(3-bromophenyl)sulfanyl-1-thiophen-2-ylethanol
CID 63102586
2-(3-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanol
CID 66160966
1-(3-bromofuran-2-yl)-2-(3-bromophenyl)sulfanylethanol
CID 66160380
2-(3-fluorophenyl)sulfanyl-1-(2-methylphenyl)ethanol
CID 66071238

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanol?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanol (CID 66161169) is 2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanol?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanol is Cc1ccc(C(O)CSc2cccc(Br)c2)c(C)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanol?
The InChIKey is YJCUVXDTSGDSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrOS/c1-11-6-7-15(12(2)8-11)16(18)10-19-14-5-3-4-13(17)9-14/h3-9,16,18H,10H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanol?
2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanol has a molecular weight of 337.28 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanol is sourced from PubChem (CID 66161169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).