5-bromo-2-methoxy-1-benzothiophen-6-ol

C9H7BrO2S — CID 130970005

IUPAC5-bromo-2-methoxy-1-benzothiophen-6-ol
SMILESCOc1cc2cc(Br)c(O)cc2s1
InChIInChI=1S/C9H7BrO2S/c1-12-9-3-5-2-6(10)7(11)4-8(5)13-9/h2-4,11H,1H3
InChIKeyKMNUVYJDRNGDIQ-UHFFFAOYSA-N
MW259.12 g/mol
LogP3.38
Rot. Bonds1

About 5-bromo-2-methoxy-1-benzothiophen-6-ol

5-bromo-2-methoxy-1-benzothiophen-6-ol (PubChem CID 130970005) has the molecular formula C9H7BrO2S and a molecular weight of 259.12 g/mol. Its IUPAC name is 5-bromo-2-methoxy-1-benzothiophen-6-ol.

Molecular Properties

Compound Name5-bromo-2-methoxy-1-benzothiophen-6-ol
PubChem CID130970005
Molecular FormulaC9H7BrO2S
Molecular Weight259.12 g/mol
Exact Mass257.94
IUPAC Name5-bromo-2-methoxy-1-benzothiophen-6-ol
SMILESCOc1cc2cc(Br)c(O)cc2s1
InChIInChI=1S/C9H7BrO2S/c1-12-9-3-5-2-6(10)7(11)4-8(5)13-9/h2-4,11H,1H3
InChIKeyKMNUVYJDRNGDIQ-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

2-methoxy-6-methyl-1-benzothiophen-5-amine
CID 130885316
5-bromo-2-nitro-1-benzothiophen-6-ol
CID 131119356
2,5-dimethoxy-1-benzothiophene
CID 69101358
6,16-dimethoxy-7,17-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3(11),4(8),5,9,12,14(18),15,19-nonaene
CID 58426675
5-hydroxy-6-methoxy-1-benzothiophene-2-sulfonamide
CID 21283481
6-ethyl-5-iodo-2-methoxy-1-benzothiophene
CID 130855342
5-bromo-4-iodo-2-methoxy-1-benzothiophene
CID 130914513
3,7-dibromodibenzothiophene-2,8-diol
CID 58849626
6-amino-2-methoxy-1-benzothiophene-5-carbonitrile
CID 131033940
6-(chloromethyl)-5-fluoro-2-methoxy-1-benzothiophene
CID 131034414
2-bromo-5-chloro-4-methoxyphenol
CID 84700319
5-bromo-2-methyl-1H-indol-6-ol
CID 175486563

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-1-benzothiophen-6-ol?
The IUPAC name of 5-bromo-2-methoxy-1-benzothiophen-6-ol (CID 130970005) is 5-bromo-2-methoxy-1-benzothiophen-6-ol.
What is the SMILES notation for 5-bromo-2-methoxy-1-benzothiophen-6-ol?
The canonical SMILES for 5-bromo-2-methoxy-1-benzothiophen-6-ol is COc1cc2cc(Br)c(O)cc2s1.
What is the InChIKey of 5-bromo-2-methoxy-1-benzothiophen-6-ol?
The InChIKey is KMNUVYJDRNGDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO2S/c1-12-9-3-5-2-6(10)7(11)4-8(5)13-9/h2-4,11H,1H3.
What are the key properties of 5-bromo-2-methoxy-1-benzothiophen-6-ol?
5-bromo-2-methoxy-1-benzothiophen-6-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 5-bromo-2-methoxy-1-benzothiophen-6-ol is sourced from PubChem (CID 130970005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).