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

C16H17BrOS — CID 66056466

IUPAC2-(4-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethanol
SMILESCc1cccc(C(O)CSc2ccc(Br)cc2)c1C
InChIInChI=1S/C16H17BrOS/c1-11-4-3-5-15(12(11)2)16(18)10-19-14-8-6-13(17)7-9-14/h3-9,16,18H,10H2,1-2H3
InChIKeyHGUOGFYBTPIYAV-UHFFFAOYSA-N
MW337.28 g/mol
LogP4.89
Rot. Bonds4

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

2-(4-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethanol (PubChem CID 66056466) has the molecular formula C16H17BrOS and a molecular weight of 337.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethanol
PubChem CID66056466
Molecular FormulaC16H17BrOS
Molecular Weight337.28 g/mol
Exact Mass336.02
IUPAC Name2-(4-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethanol
SMILESCc1cccc(C(O)CSc2ccc(Br)cc2)c1C
InChIInChI=1S/C16H17BrOS/c1-11-4-3-5-15(12(11)2)16(18)10-19-14-8-6-13(17)7-9-14/h3-9,16,18H,10H2,1-2H3
InChIKeyHGUOGFYBTPIYAV-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-(2-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethanol
CID 66144051
1-(2,3-dimethylphenyl)-2-methylsulfanylethanol
CID 62692978
2-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)ethanol
CID 66145325
2-(4-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)ethanol
CID 79596174
2-(4-bromophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanol
CID 115374163
2-(4-bromophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanol
CID 66056664
2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanol
CID 66161169
2-(4-bromophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106881082
2-cyclopentylsulfanyl-1-(2,3-dimethylphenyl)ethanol
CID 65138645
2-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)ethanol
CID 11843613
2-(4-bromophenyl)sulfanyl-1-isoquinolin-4-ylethanol
CID 66056672
2-(3-fluorophenyl)sulfanyl-1-(2-methylphenyl)ethanol
CID 66071238

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethanol?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethanol (CID 66056466) is 2-(4-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethanol?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethanol is Cc1cccc(C(O)CSc2ccc(Br)cc2)c1C.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethanol?
The InChIKey is HGUOGFYBTPIYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrOS/c1-11-4-3-5-15(12(11)2)16(18)10-19-14-8-6-13(17)7-9-14/h3-9,16,18H,10H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethanol?
2-(4-bromophenyl)sulfanyl-1-(2,3-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-(4-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethanol is sourced from PubChem (CID 66056466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).