1-(1-benzothiophen-2-yl)-2-bromoethanol

C10H9BrOS — CID 130171136

IUPAC1-(1-benzothiophen-2-yl)-2-bromoethanol
SMILESOC(CBr)c1cc2ccccc2s1
InChIInChI=1S/C10H9BrOS/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h1-5,8,12H,6H2
InChIKeySEJRDRSRZWPSHY-UHFFFAOYSA-N
MW257.15 g/mol
LogP3.33
Rot. Bonds2

About 1-(1-benzothiophen-2-yl)-2-bromoethanol

1-(1-benzothiophen-2-yl)-2-bromoethanol (PubChem CID 130171136) has the molecular formula C10H9BrOS and a molecular weight of 257.15 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-bromoethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-bromoethanol
PubChem CID130171136
Molecular FormulaC10H9BrOS
Molecular Weight257.15 g/mol
Exact Mass255.96
IUPAC Name1-(1-benzothiophen-2-yl)-2-bromoethanol
SMILESOC(CBr)c1cc2ccccc2s1
InChIInChI=1S/C10H9BrOS/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h1-5,8,12H,6H2
InChIKeySEJRDRSRZWPSHY-UHFFFAOYSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.15
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
CID 171099380
1-(1-benzothiophen-2-yl)-3-methylbutan-1-ol
CID 114976256
(3R)-3-(1-benzothiophen-2-yl)-3-hydroxypropanoic acid
CID 102424617
3-(1-benzothiophen-2-yl)butan-2-ol
CID 67935656
1-(1-benzothiophen-2-yl)nonan-1-ol
CID 115784008
1-(1-benzothiophen-2-yl)-2-(4-ethylphenyl)ethanol
CID 114980831
1-(1-benzothiophen-2-yl)-3-(dimethylamino)propan-1-ol
CID 86678604
1-(1-benzothiophen-2-yl)-2-cyclobutylethanol
CID 115802429
1-(1-benzothiophen-2-yl)-2-thiophen-2-ylethanol
CID 63016384
1-(1-benzothiophen-2-yl)hex-5-en-1-ol
CID 115804316
ethyl (3S)-3-(1-benzothiophen-2-yl)-3-hydroxypropanoate
CID 42631132
1-(1-benzothiophen-2-yl)-3-cyclopentylpropan-1-ol
CID 143223012

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2-bromoethanol?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-bromoethanol (CID 130171136) is 1-(1-benzothiophen-2-yl)-2-bromoethanol.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-bromoethanol?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-bromoethanol is OC(CBr)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-bromoethanol?
The InChIKey is SEJRDRSRZWPSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrOS/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h1-5,8,12H,6H2.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-bromoethanol?
1-(1-benzothiophen-2-yl)-2-bromoethanol has a molecular weight of 257.15 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-2-bromoethanol is sourced from PubChem (CID 130171136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).