2-(3-bromophenyl)sulfanyl-1-(4-propoxyphenyl)ethanol

C17H19BrO2S — CID 66159989

IUPAC2-(3-bromophenyl)sulfanyl-1-(4-propoxyphenyl)ethanol
SMILESCCCOc1ccc(C(O)CSc2cccc(Br)c2)cc1
InChIInChI=1S/C17H19BrO2S/c1-2-10-20-15-8-6-13(7-9-15)17(19)12-21-16-5-3-4-14(18)11-16/h3-9,11,17,19H,2,10,12H2,1H3
InChIKeyLXXZCEWAULYUQA-UHFFFAOYSA-N
MW367.31 g/mol
LogP5.06
Rot. Bonds7

About 2-(3-bromophenyl)sulfanyl-1-(4-propoxyphenyl)ethanol

2-(3-bromophenyl)sulfanyl-1-(4-propoxyphenyl)ethanol (PubChem CID 66159989) has the molecular formula C17H19BrO2S and a molecular weight of 367.31 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-1-(4-propoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-1-(4-propoxyphenyl)ethanol
PubChem CID66159989
Molecular FormulaC17H19BrO2S
Molecular Weight367.31 g/mol
Exact Mass366.03
IUPAC Name2-(3-bromophenyl)sulfanyl-1-(4-propoxyphenyl)ethanol
SMILESCCCOc1ccc(C(O)CSc2cccc(Br)c2)cc1
InChIInChI=1S/C17H19BrO2S/c1-2-10-20-15-8-6-13(7-9-15)17(19)12-21-16-5-3-4-14(18)11-16/h3-9,11,17,19H,2,10,12H2,1H3
InChIKeyLXXZCEWAULYUQA-UHFFFAOYSA-N
XLogP5.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.31
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromophenyl)sulfanyl-1-(4-propoxyphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromophenyl)sulfanyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 66158616
(1R)-1-[4-[2-(3-bromophenoxy)ethoxy]phenyl]propan-1-ol
CID 63365689
2-(3-bromophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanol
CID 107128535
2-chloro-1-(4-propoxyphenyl)ethanol
CID 83001734
1-bromo-3-[(4-propoxyphenoxy)methyl]benzene
CID 60645272
2-(3-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanol
CID 66160966
2-(5-bromo-2-fluorophenyl)-1-(4-propoxyphenyl)ethanol
CID 65146068
2-(4-bromothiophen-2-yl)-1-(4-propoxyphenyl)ethanol
CID 65146016
(3-bromophenyl)-(4-ethoxyphenyl)methanol
CID 46205463
3-(3-methylphenyl)-1-(4-propoxyphenyl)propan-1-ol
CID 105095182
1-(3-bromophenyl)sulfanyl-4-methylpentan-2-ol
CID 66159590
2-(4-bromophenoxy)ethanamine;2-(3-bromophenyl)sulfanylethanamine
CID 70205457

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(4-propoxyphenyl)ethanol?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(4-propoxyphenyl)ethanol (CID 66159989) is 2-(3-bromophenyl)sulfanyl-1-(4-propoxyphenyl)ethanol.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-1-(4-propoxyphenyl)ethanol?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-1-(4-propoxyphenyl)ethanol is CCCOc1ccc(C(O)CSc2cccc(Br)c2)cc1.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-1-(4-propoxyphenyl)ethanol?
The InChIKey is LXXZCEWAULYUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO2S/c1-2-10-20-15-8-6-13(7-9-15)17(19)12-21-16-5-3-4-14(18)11-16/h3-9,11,17,19H,2,10,12H2,1H3.
What are the key properties of 2-(3-bromophenyl)sulfanyl-1-(4-propoxyphenyl)ethanol?
2-(3-bromophenyl)sulfanyl-1-(4-propoxyphenyl)ethanol has a molecular weight of 367.31 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-1-(4-propoxyphenyl)ethanol is sourced from PubChem (CID 66159989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).