3-bromo-2-ethyl-1-benzothiophen-4-ol

C10H9BrOS — CID 22737147

IUPAC3-bromo-2-ethyl-1-benzothiophen-4-ol
SMILESCCc1sc2cccc(O)c2c1Br
InChIInChI=1S/C10H9BrOS/c1-2-7-10(11)9-6(12)4-3-5-8(9)13-7/h3-5,12H,2H2,1H3
InChIKeyJNMWGJBUNBGBLE-UHFFFAOYSA-N
MW257.15 g/mol
LogP3.93
Rot. Bonds1

About 3-bromo-2-ethyl-1-benzothiophen-4-ol

3-bromo-2-ethyl-1-benzothiophen-4-ol (PubChem CID 22737147) has the molecular formula C10H9BrOS and a molecular weight of 257.15 g/mol. Its IUPAC name is 3-bromo-2-ethyl-1-benzothiophen-4-ol.

Molecular Properties

Compound Name3-bromo-2-ethyl-1-benzothiophen-4-ol
PubChem CID22737147
Molecular FormulaC10H9BrOS
Molecular Weight257.15 g/mol
Exact Mass255.96
IUPAC Name3-bromo-2-ethyl-1-benzothiophen-4-ol
SMILESCCc1sc2cccc(O)c2c1Br
InChIInChI=1S/C10H9BrOS/c1-2-7-10(11)9-6(12)4-3-5-8(9)13-7/h3-5,12H,2H2,1H3
InChIKeyJNMWGJBUNBGBLE-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2-ethyl-1-benzothiophen-4-yl) acetate
CID 21303419
3-ethyl-2-methoxy-1-benzothiophen-4-ol
CID 131196111
3-amino-2-(chloromethyl)-1-benzothiophen-4-ol
CID 131215373
2-(chloromethyl)-3-sulfanyl-1-benzothiophen-4-ol
CID 130956097
2-[(2-ethyl-3-methyl-1-benzothiophen-4-yl)oxy]acetic acid
CID 142104664
3,4-dibromo-2-methyl-1-benzothiophene
CID 131074757
(4-bromo-3-chloro-1-benzothiophen-2-yl)methanol
CID 130821214
3-(chloromethyl)-2-fluoro-1-benzothiophen-4-ol
CID 130970873
4-bromo-3-chloro-2-(chloromethyl)-1-benzothiophene
CID 130820859
3-bromo-4-ethoxy-1-benzothiophen-2-amine
CID 131098465
3-chloro-2-sulfanyl-1-benzothiophen-4-ol
CID 130885344
2-bromo-1,3-benzothiazol-4-ol
CID 73012532

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-ethyl-1-benzothiophen-4-ol?
The IUPAC name of 3-bromo-2-ethyl-1-benzothiophen-4-ol (CID 22737147) is 3-bromo-2-ethyl-1-benzothiophen-4-ol.
What is the SMILES notation for 3-bromo-2-ethyl-1-benzothiophen-4-ol?
The canonical SMILES for 3-bromo-2-ethyl-1-benzothiophen-4-ol is CCc1sc2cccc(O)c2c1Br.
What is the InChIKey of 3-bromo-2-ethyl-1-benzothiophen-4-ol?
The InChIKey is JNMWGJBUNBGBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrOS/c1-2-7-10(11)9-6(12)4-3-5-8(9)13-7/h3-5,12H,2H2,1H3.
What are the key properties of 3-bromo-2-ethyl-1-benzothiophen-4-ol?
3-bromo-2-ethyl-1-benzothiophen-4-ol has a molecular weight of 257.15 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-ethyl-1-benzothiophen-4-ol is sourced from PubChem (CID 22737147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).