7-(2-methoxyphenyl)-1-benzothiophene-2-carboxylic acid

C16H12O3S — CID 90141254

IUPAC7-(2-methoxyphenyl)-1-benzothiophene-2-carboxylic acid
SMILESCOc1ccccc1-c1cccc2cc(C(=O)O)sc12
InChIInChI=1S/C16H12O3S/c1-19-13-8-3-2-6-11(13)12-7-4-5-10-9-14(16(17)18)20-15(10)12/h2-9H,1H3,(H,17,18)
InChIKeyLRGUXBQWJRKSDY-UHFFFAOYSA-N
MW284.34 g/mol
LogP4.28
Rot. Bonds3

About 7-(2-methoxyphenyl)-1-benzothiophene-2-carboxylic acid

7-(2-methoxyphenyl)-1-benzothiophene-2-carboxylic acid (PubChem CID 90141254) has the molecular formula C16H12O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-1-benzothiophene-2-carboxylic acid.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-1-benzothiophene-2-carboxylic acid
PubChem CID90141254
Molecular FormulaC16H12O3S
Molecular Weight284.34 g/mol
Exact Mass284.05
IUPAC Name7-(2-methoxyphenyl)-1-benzothiophene-2-carboxylic acid
SMILESCOc1ccccc1-c1cccc2cc(C(=O)O)sc12
InChIInChI=1S/C16H12O3S/c1-19-13-8-3-2-6-11(13)12-7-4-5-10-9-14(16(17)18)20-15(10)12/h2-9H,1H3,(H,17,18)
InChIKeyLRGUXBQWJRKSDY-UHFFFAOYSA-N
XLogP4.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
7-methoxy-5-methyl-1-benzothiophene-2-carboxylic acid
CID 23532368
2-(2-formyl-6-methoxyphenyl)sulfanylacetic acid;7-methoxy-1-benzothiophene-2-carboxylic acid;phenoxybenzene
CID 158418818
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402
6-fluoro-7-methoxy-1-benzothiophene-2-carboxylic acid
CID 67184797
5-(2,6-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
CID 116810851
7-[4-(1-hydroxycyclobutyl)phenyl]-1-benzothiophene-2-carboxylic acid
CID 166325213
3-(2-methoxyphenyl)benzoic acid
CID 2759547
2-(7-methoxy-1-benzothiophen-2-yl)-2-methylpropanoic acid
CID 117197093
7-methoxy-1-benzothiophene-2-carboximidamide
CID 83677734
2-hydroxy-2-(7-methoxy-1-benzothiophen-2-yl)acetic acid
CID 115072407

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-1-benzothiophene-2-carboxylic acid?
The IUPAC name of 7-(2-methoxyphenyl)-1-benzothiophene-2-carboxylic acid (CID 90141254) is 7-(2-methoxyphenyl)-1-benzothiophene-2-carboxylic acid.
What is the SMILES notation for 7-(2-methoxyphenyl)-1-benzothiophene-2-carboxylic acid?
The canonical SMILES for 7-(2-methoxyphenyl)-1-benzothiophene-2-carboxylic acid is COc1ccccc1-c1cccc2cc(C(=O)O)sc12.
What is the InChIKey of 7-(2-methoxyphenyl)-1-benzothiophene-2-carboxylic acid?
The InChIKey is LRGUXBQWJRKSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3S/c1-19-13-8-3-2-6-11(13)12-7-4-5-10-9-14(16(17)18)20-15(10)12/h2-9H,1H3,(H,17,18).
What are the key properties of 7-(2-methoxyphenyl)-1-benzothiophene-2-carboxylic acid?
7-(2-methoxyphenyl)-1-benzothiophene-2-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-1-benzothiophene-2-carboxylic acid is sourced from PubChem (CID 90141254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).