4-methoxy-1-benzothiophene-7-carboxylic acid

C10H8O3S — CID 18784114

IUPAC4-methoxy-1-benzothiophene-7-carboxylic acid
SMILESCOc1ccc(C(=O)O)c2sccc12
InChIInChI=1S/C10H8O3S/c1-13-8-3-2-7(10(11)12)9-6(8)4-5-14-9/h2-5H,1H3,(H,11,12)
InChIKeyUYJLHWXQJRNOHH-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.61
Rot. Bonds2

About 4-methoxy-1-benzothiophene-7-carboxylic acid

4-methoxy-1-benzothiophene-7-carboxylic acid (PubChem CID 18784114) has the molecular formula C10H8O3S and a molecular weight of 208.24 g/mol. Its IUPAC name is 4-methoxy-1-benzothiophene-7-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-benzothiophene-7-carboxylic acid
PubChem CID18784114
Molecular FormulaC10H8O3S
Molecular Weight208.24 g/mol
Exact Mass208.02
IUPAC Name4-methoxy-1-benzothiophene-7-carboxylic acid
SMILESCOc1ccc(C(=O)O)c2sccc12
InChIInChI=1S/C10H8O3S/c1-13-8-3-2-7(10(11)12)9-6(8)4-5-14-9/h2-5H,1H3,(H,11,12)
InChIKeyUYJLHWXQJRNOHH-UHFFFAOYSA-N
XLogP2.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-1-benzothiophene-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,7-dimethoxy-1-benzothiophene
CID 11095506
4-methoxy-1-benzothiophen-7-ol
CID 119095255
3-hydroxy-2,4-dimethoxybenzoic acid
CID 20533708
4-methoxy-1-benzothiophene-7-carbonitrile
CID 68709277
(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 102839751
3-ethoxy-2,4-dimethoxybenzoic acid
CID 171009382
N-[(4-methoxy-1-benzothiophen-7-yl)methyl]prop-2-enamide
CID 146095265
5-(7-methoxy-1-benzothiophen-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117439956
methyl 2-hydroxy-2-(7-methoxy-1-benzothiophen-4-yl)acetate
CID 117383636
6,7-dimethoxy-1-benzothiophene
CID 23321121
4-bromo-5-methyl-1-benzothiophene-7-carboxylic acid
CID 131053790
3-amino-3-(7-methoxy-1-benzothiophen-4-yl)propanoic acid
CID 117381131

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-benzothiophene-7-carboxylic acid?
The IUPAC name of 4-methoxy-1-benzothiophene-7-carboxylic acid (CID 18784114) is 4-methoxy-1-benzothiophene-7-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-benzothiophene-7-carboxylic acid?
The canonical SMILES for 4-methoxy-1-benzothiophene-7-carboxylic acid is COc1ccc(C(=O)O)c2sccc12.
What is the InChIKey of 4-methoxy-1-benzothiophene-7-carboxylic acid?
The InChIKey is UYJLHWXQJRNOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S/c1-13-8-3-2-7(10(11)12)9-6(8)4-5-14-9/h2-5H,1H3,(H,11,12).
What are the key properties of 4-methoxy-1-benzothiophene-7-carboxylic acid?
4-methoxy-1-benzothiophene-7-carboxylic acid has a molecular weight of 208.24 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-benzothiophene-7-carboxylic acid is sourced from PubChem (CID 18784114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).