3-bromo-5-methoxy-1-benzothiophen-4-ol

C9H7BrO2S — CID 131034350

IUPAC3-bromo-5-methoxy-1-benzothiophen-4-ol
SMILESCOc1ccc2scc(Br)c2c1O
InChIInChI=1S/C9H7BrO2S/c1-12-6-2-3-7-8(9(6)11)5(10)4-13-7/h2-4,11H,1H3
InChIKeyOOFGGNDGMSUJME-UHFFFAOYSA-N
MW259.12 g/mol
LogP3.38
Rot. Bonds1

About 3-bromo-5-methoxy-1-benzothiophen-4-ol

3-bromo-5-methoxy-1-benzothiophen-4-ol (PubChem CID 131034350) has the molecular formula C9H7BrO2S and a molecular weight of 259.12 g/mol. Its IUPAC name is 3-bromo-5-methoxy-1-benzothiophen-4-ol.

Molecular Properties

Compound Name3-bromo-5-methoxy-1-benzothiophen-4-ol
PubChem CID131034350
Molecular FormulaC9H7BrO2S
Molecular Weight259.12 g/mol
Exact Mass257.94
IUPAC Name3-bromo-5-methoxy-1-benzothiophen-4-ol
SMILESCOc1ccc2scc(Br)c2c1O
InChIInChI=1S/C9H7BrO2S/c1-12-6-2-3-7-8(9(6)11)5(10)4-13-7/h2-4,11H,1H3
InChIKeyOOFGGNDGMSUJME-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dibromo-1-benzothiophen-4-ol
CID 131138178
3-hydroxy-5-methoxy-1-benzothiophene-4-carbaldehyde
CID 130913403
4-bromo-5-methoxy-1-benzothiophene-3-carbaldehyde
CID 130793746
6-bromo-2-(3-bromo-2-hydroxy-6-methoxyphenyl)-3-methoxyphenol
CID 101087040
4-(bromomethyl)-5-methoxy-1-benzothiophene-3-thiol
CID 130839251
3-bromo-6-methoxy-2-(methoxymethoxy)phenol
CID 67466846
3-amino-4-methoxy-1-benzothiophen-5-ol
CID 130792504
3-bromo-4,5-dimethyl-1-benzothiophene
CID 82387657
5-bromo-3-iodo-1-benzothiophen-4-ol
CID 130901172
2-[(1R)-1-amino-2,2-difluoroethyl]-3-bromo-6-methoxyphenol
CID 131561211
2-bromo-3-chloro-6-methoxyphenol
CID 84700321
3,6-dimethoxy-2-methylphenol
CID 13158257

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-1-benzothiophen-4-ol?
The IUPAC name of 3-bromo-5-methoxy-1-benzothiophen-4-ol (CID 131034350) is 3-bromo-5-methoxy-1-benzothiophen-4-ol.
What is the SMILES notation for 3-bromo-5-methoxy-1-benzothiophen-4-ol?
The canonical SMILES for 3-bromo-5-methoxy-1-benzothiophen-4-ol is COc1ccc2scc(Br)c2c1O.
What is the InChIKey of 3-bromo-5-methoxy-1-benzothiophen-4-ol?
The InChIKey is OOFGGNDGMSUJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO2S/c1-12-6-2-3-7-8(9(6)11)5(10)4-13-7/h2-4,11H,1H3.
What are the key properties of 3-bromo-5-methoxy-1-benzothiophen-4-ol?
3-bromo-5-methoxy-1-benzothiophen-4-ol has a molecular weight of 259.12 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-1-benzothiophen-4-ol is sourced from PubChem (CID 131034350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).