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

C10H9BrOS — CID 150482026

IUPAC1-(1-benzothiophen-2-yl)-1-bromoethanol
SMILESCC(O)(Br)c1cc2ccccc2s1
InChIInChI=1S/C10H9BrOS/c1-10(11,12)9-6-7-4-2-3-5-8(7)13-9/h2-6,12H,1H3
InChIKeyHUACUAMMMKCLLR-UHFFFAOYSA-N
MW257.15 g/mol
LogP3.46
Rot. Bonds1

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

1-(1-benzothiophen-2-yl)-1-bromoethanol (PubChem CID 150482026) has the molecular formula C10H9BrOS and a molecular weight of 257.15 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-1-bromoethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-1-bromoethanol
PubChem CID150482026
Molecular FormulaC10H9BrOS
Molecular Weight257.15 g/mol
Exact Mass255.96
IUPAC Name1-(1-benzothiophen-2-yl)-1-bromoethanol
SMILESCC(O)(Br)c1cc2ccccc2s1
InChIInChI=1S/C10H9BrOS/c1-10(11,12)9-6-7-4-2-3-5-8(7)13-9/h2-6,12H,1H3
InChIKeyHUACUAMMMKCLLR-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.15
LogP ≤ 53.46
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

2-(1-benzothiophen-2-yl)but-3-yn-2-ol
CID 114910879
(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropanoic acid
CID 901528
1-(1-benzothiophen-2-yl)-1-(2-methylphenyl)ethanol
CID 114910776
2-(1-benzothiophen-2-yl)-4-methylpent-3-en-2-ol
CID 114910856
bis(1-benzothiophen-2-yl)-[4-[bis(1-benzothiophen-2-yl)-hydroxymethyl]phenyl]methanol
CID 122216387
2-(1-benzothiophen-2-yl)-3-ethylpentan-2-ol
CID 114910806
2-(2,3-dimethylbutan-2-yl)-1-benzothiophene
CID 23150201
1-(1-benzothiophen-2-yl)-1-cyclopentylethanol
CID 114910842
1-(1-benzothiophen-2-yl)-1-cyclobutylethanol
CID 114910840
1-(1-benzothiophen-2-yl)-1-(4-chlorophenyl)ethanol
CID 114910893
2-(1-benzothiophen-2-yl)-1-ethoxypropan-2-ol
CID 114910761
2-(1-benzothiophen-2-yl)-4-phenylbutan-2-ol
CID 114910872

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-1-bromoethanol?
The IUPAC name of 1-(1-benzothiophen-2-yl)-1-bromoethanol (CID 150482026) is 1-(1-benzothiophen-2-yl)-1-bromoethanol.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-1-bromoethanol?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-1-bromoethanol is CC(O)(Br)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-1-bromoethanol?
The InChIKey is HUACUAMMMKCLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrOS/c1-10(11,12)9-6-7-4-2-3-5-8(7)13-9/h2-6,12H,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-1-bromoethanol?
1-(1-benzothiophen-2-yl)-1-bromoethanol has a molecular weight of 257.15 g/mol, XLogP of 3.46, 1 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)-1-bromoethanol is sourced from PubChem (CID 150482026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).