2-(1-benzothiophen-3-yl)-1-(2-bromophenyl)ethanol

C16H13BrOS — CID 63736722

IUPAC2-(1-benzothiophen-3-yl)-1-(2-bromophenyl)ethanol
SMILESOC(Cc1csc2ccccc12)c1ccccc1Br
InChIInChI=1S/C16H13BrOS/c17-14-7-3-1-6-13(14)15(18)9-11-10-19-16-8-4-2-5-12(11)16/h1-8,10,15,18H,9H2
InChIKeyOOUQXKRIHFCDAI-UHFFFAOYSA-N
MW333.25 g/mol
LogP4.94
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-1-(2-bromophenyl)ethanol

2-(1-benzothiophen-3-yl)-1-(2-bromophenyl)ethanol (PubChem CID 63736722) has the molecular formula C16H13BrOS and a molecular weight of 333.25 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(2-bromophenyl)ethanol.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(2-bromophenyl)ethanol
PubChem CID63736722
Molecular FormulaC16H13BrOS
Molecular Weight333.25 g/mol
Exact Mass331.99
IUPAC Name2-(1-benzothiophen-3-yl)-1-(2-bromophenyl)ethanol
SMILESOC(Cc1csc2ccccc12)c1ccccc1Br
InChIInChI=1S/C16H13BrOS/c17-14-7-3-1-6-13(14)15(18)9-11-10-19-16-8-4-2-5-12(11)16/h1-8,10,15,18H,9H2
InChIKeyOOUQXKRIHFCDAI-UHFFFAOYSA-N
XLogP4.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzothiophen-3-yl)-1-(2-ethylphenyl)ethanol
CID 65150146
2-(1-benzothiophen-3-yl)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64713790
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
1-(2-amino-3-methoxyphenyl)-2-(1-benzothiophen-3-yl)ethanol
CID 107469527
3-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-1-benzothiophene
CID 66043559
2-(1-benzothiophen-3-yl)-1-(4-methylphenyl)ethanol
CID 63736721
2-(1-benzothiophen-3-yl)-1-(5-methylfuran-2-yl)ethanol
CID 65150670
2-(1-benzothiophen-3-yl)-1-(5-chlorothiophen-2-yl)ethanol
CID 65150174
[1-(1-benzothiophen-3-yl)-3-(2-bromophenyl)propan-2-yl]hydrazine
CID 105214923
2-(1-benzothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanol
CID 115781069
2-(1-benzothiophen-3-yl)-1-pyrazin-2-ylethanol
CID 63738461
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-bromobenzamide
CID 119106153

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(2-bromophenyl)ethanol?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(2-bromophenyl)ethanol (CID 63736722) is 2-(1-benzothiophen-3-yl)-1-(2-bromophenyl)ethanol.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(2-bromophenyl)ethanol?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(2-bromophenyl)ethanol is OC(Cc1csc2ccccc12)c1ccccc1Br.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(2-bromophenyl)ethanol?
The InChIKey is OOUQXKRIHFCDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrOS/c17-14-7-3-1-6-13(14)15(18)9-11-10-19-16-8-4-2-5-12(11)16/h1-8,10,15,18H,9H2.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(2-bromophenyl)ethanol?
2-(1-benzothiophen-3-yl)-1-(2-bromophenyl)ethanol has a molecular weight of 333.25 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(2-bromophenyl)ethanol is sourced from PubChem (CID 63736722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).