7-bromo-5-ethyl-1-benzothiophen-6-ol

C10H9BrOS — CID 130955960

IUPAC7-bromo-5-ethyl-1-benzothiophen-6-ol
SMILESCCc1cc2ccsc2c(Br)c1O
InChIInChI=1S/C10H9BrOS/c1-2-6-5-7-3-4-13-10(7)8(11)9(6)12/h3-5,12H,2H2,1H3
InChIKeyYGLQKZPGIXLHFB-UHFFFAOYSA-N
MW257.15 g/mol
LogP3.93
Rot. Bonds1

About 7-bromo-5-ethyl-1-benzothiophen-6-ol

7-bromo-5-ethyl-1-benzothiophen-6-ol (PubChem CID 130955960) has the molecular formula C10H9BrOS and a molecular weight of 257.15 g/mol. Its IUPAC name is 7-bromo-5-ethyl-1-benzothiophen-6-ol.

Molecular Properties

Compound Name7-bromo-5-ethyl-1-benzothiophen-6-ol
PubChem CID130955960
Molecular FormulaC10H9BrOS
Molecular Weight257.15 g/mol
Exact Mass255.96
IUPAC Name7-bromo-5-ethyl-1-benzothiophen-6-ol
SMILESCCc1cc2ccsc2c(Br)c1O
InChIInChI=1S/C10H9BrOS/c1-2-6-5-7-3-4-13-10(7)8(11)9(6)12/h3-5,12H,2H2,1H3
InChIKeyYGLQKZPGIXLHFB-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

6-bromo-5-ethyl-1-benzothiophene-7-thiol
CID 130901233
6-ethyl-1-benzothiophene-5,7-diol
CID 131098438
7-bromo-5-chloro-6-ethyl-1-benzothiophene
CID 130821099
5-(bromomethyl)-7-methoxy-1-benzothiophen-6-ol
CID 130956494
7-bromo-4,6-diethyl-1-benzothiophene
CID 130826571
2-(7-bromo-6-chloro-1-benzothiophen-5-yl)acetonitrile
CID 130816524
7-bromo-5-(chloromethyl)-6-methoxy-1-benzothiophene
CID 130821104
6-bromo-5-chloro-7-ethyl-1-benzothiophene
CID 130821097
(5-bromo-7-ethyl-1-benzothiophen-6-yl)methanol
CID 130898537
5-(hydroxymethyl)-6-sulfanyl-1-benzothiophen-7-ol
CID 131000512
5-ethyl-4-hydroxy-1-benzothiophene-7-carbaldehyde
CID 130913439
4-ethyl-6-methyl-1-benzothiophen-7-ol
CID 131219308

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-ethyl-1-benzothiophen-6-ol?
The IUPAC name of 7-bromo-5-ethyl-1-benzothiophen-6-ol (CID 130955960) is 7-bromo-5-ethyl-1-benzothiophen-6-ol.
What is the SMILES notation for 7-bromo-5-ethyl-1-benzothiophen-6-ol?
The canonical SMILES for 7-bromo-5-ethyl-1-benzothiophen-6-ol is CCc1cc2ccsc2c(Br)c1O.
What is the InChIKey of 7-bromo-5-ethyl-1-benzothiophen-6-ol?
The InChIKey is YGLQKZPGIXLHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrOS/c1-2-6-5-7-3-4-13-10(7)8(11)9(6)12/h3-5,12H,2H2,1H3.
What are the key properties of 7-bromo-5-ethyl-1-benzothiophen-6-ol?
7-bromo-5-ethyl-1-benzothiophen-6-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 7-bromo-5-ethyl-1-benzothiophen-6-ol is sourced from PubChem (CID 130955960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).