2-(3-bromophenyl)-1-(4-ethylsulfanylphenyl)ethanol

C16H17BrOS — CID 106848125

IUPAC2-(3-bromophenyl)-1-(4-ethylsulfanylphenyl)ethanol
SMILESCCSc1ccc(C(O)Cc2cccc(Br)c2)cc1
InChIInChI=1S/C16H17BrOS/c1-2-19-15-8-6-13(7-9-15)16(18)11-12-4-3-5-14(17)10-12/h3-10,16,18H,2,11H2,1H3
InChIKeyWCLVQGNLEQRFBW-UHFFFAOYSA-N
MW337.28 g/mol
LogP4.84
Rot. Bonds5

About 2-(3-bromophenyl)-1-(4-ethylsulfanylphenyl)ethanol

2-(3-bromophenyl)-1-(4-ethylsulfanylphenyl)ethanol (PubChem CID 106848125) has the molecular formula C16H17BrOS and a molecular weight of 337.28 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(4-ethylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(4-ethylsulfanylphenyl)ethanol
PubChem CID106848125
Molecular FormulaC16H17BrOS
Molecular Weight337.28 g/mol
Exact Mass336.02
IUPAC Name2-(3-bromophenyl)-1-(4-ethylsulfanylphenyl)ethanol
SMILESCCSc1ccc(C(O)Cc2cccc(Br)c2)cc1
InChIInChI=1S/C16H17BrOS/c1-2-19-15-8-6-13(7-9-15)16(18)11-12-4-3-5-14(17)10-12/h3-10,16,18H,2,11H2,1H3
InChIKeyWCLVQGNLEQRFBW-UHFFFAOYSA-N
XLogP4.84
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 ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol
CID 63895311
1-(3-bromo-4-methylphenyl)-2-(3-bromophenyl)ethanol
CID 81488750
2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol
CID 60797873
2-(3-bromophenyl)-1-(3-ethoxyphenyl)ethanol
CID 60798972
2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol
CID 60797863
2-(3-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanol
CID 105077529
5-(3-bromophenyl)-4-methylpentan-2-ol
CID 64719451
1-(3-bromo-5-fluorophenyl)-2-(3-bromophenyl)ethanol
CID 63017169
1-bromo-3-[2-(bromomethyl)butyl]benzene
CID 66041649
1-(3-bromophenyl)-4-ethylhexan-2-ol
CID 82919634
2-(3-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanol
CID 106848185
1-bromo-3-[2-chloro-2-(4-ethylphenyl)ethyl]benzene
CID 55198133

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(4-ethylsulfanylphenyl)ethanol?
The IUPAC name of 2-(3-bromophenyl)-1-(4-ethylsulfanylphenyl)ethanol (CID 106848125) is 2-(3-bromophenyl)-1-(4-ethylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-(3-bromophenyl)-1-(4-ethylsulfanylphenyl)ethanol?
The canonical SMILES for 2-(3-bromophenyl)-1-(4-ethylsulfanylphenyl)ethanol is CCSc1ccc(C(O)Cc2cccc(Br)c2)cc1.
What is the InChIKey of 2-(3-bromophenyl)-1-(4-ethylsulfanylphenyl)ethanol?
The InChIKey is WCLVQGNLEQRFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrOS/c1-2-19-15-8-6-13(7-9-15)16(18)11-12-4-3-5-14(17)10-12/h3-10,16,18H,2,11H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(4-ethylsulfanylphenyl)ethanol?
2-(3-bromophenyl)-1-(4-ethylsulfanylphenyl)ethanol has a molecular weight of 337.28 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(4-ethylsulfanylphenyl)ethanol is sourced from PubChem (CID 106848125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).