4-methoxy-1-benzothiophen-7-ol

C9H8O2S — CID 119095255

IUPAC4-methoxy-1-benzothiophen-7-ol
SMILESCOc1ccc(O)c2sccc12
InChIInChI=1S/C9H8O2S/c1-11-8-3-2-7(10)9-6(8)4-5-12-9/h2-5,10H,1H3
InChIKeyORUIRIFIJMUEAG-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.62
Rot. Bonds1

About 4-methoxy-1-benzothiophen-7-ol

4-methoxy-1-benzothiophen-7-ol (PubChem CID 119095255) has the molecular formula C9H8O2S and a molecular weight of 180.23 g/mol. Its IUPAC name is 4-methoxy-1-benzothiophen-7-ol.

Molecular Properties

Compound Name4-methoxy-1-benzothiophen-7-ol
PubChem CID119095255
Molecular FormulaC9H8O2S
Molecular Weight180.23 g/mol
Exact Mass180.02
IUPAC Name4-methoxy-1-benzothiophen-7-ol
SMILESCOc1ccc(O)c2sccc12
InChIInChI=1S/C9H8O2S/c1-11-8-3-2-7(10)9-6(8)4-5-12-9/h2-5,10H,1H3
InChIKeyORUIRIFIJMUEAG-UHFFFAOYSA-N
XLogP2.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,7-dimethoxy-1-benzothiophene
CID 11095506
4-methoxy-1-benzothiophene-7-carboxylic acid
CID 18784114
4-fluoro-5-methoxy-1-benzothiophen-7-ol
CID 131196385
4-methoxy-1-benzothiophene-7-carbonitrile
CID 68709277
6,7-dimethoxy-1-benzothiophene
CID 23321121
4-amino-1-benzothiophen-7-ol
CID 54042760
4-methoxythieno[2,3-f][1]benzothiol-8-ol
CID 144770940
6-fluoro-7-methoxy-1-benzothiophen-4-ol
CID 130857297
N-[(4-methoxy-1-benzothiophen-7-yl)methyl]prop-2-enamide
CID 146095265
7-chloro-6-fluoro-4-methoxy-1-benzothiophene
CID 130884092
methyl 2-hydroxy-2-(7-methoxy-1-benzothiophen-4-yl)acetate
CID 117383636
7-methoxy-6-methylsulfanyl-1-benzothiophen-4-ol
CID 130821413

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-benzothiophen-7-ol?
The IUPAC name of 4-methoxy-1-benzothiophen-7-ol (CID 119095255) is 4-methoxy-1-benzothiophen-7-ol.
What is the SMILES notation for 4-methoxy-1-benzothiophen-7-ol?
The canonical SMILES for 4-methoxy-1-benzothiophen-7-ol is COc1ccc(O)c2sccc12.
What is the InChIKey of 4-methoxy-1-benzothiophen-7-ol?
The InChIKey is ORUIRIFIJMUEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2S/c1-11-8-3-2-7(10)9-6(8)4-5-12-9/h2-5,10H,1H3.
What are the key properties of 4-methoxy-1-benzothiophen-7-ol?
4-methoxy-1-benzothiophen-7-ol has a molecular weight of 180.23 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-benzothiophen-7-ol is sourced from PubChem (CID 119095255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).