3,7-dimethoxy-1-benzothiophene-2-carboxylic acid

C11H10O4S — CID 83919270

IUPAC3,7-dimethoxy-1-benzothiophene-2-carboxylic acid
SMILESCOc1c(C(=O)O)sc2c(OC)cccc12
InChIInChI=1S/C11H10O4S/c1-14-7-5-3-4-6-8(15-2)10(11(12)13)16-9(6)7/h3-5H,1-2H3,(H,12,13)
InChIKeyGENYCUJZGWWLJW-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.62
Rot. Bonds3

About 3,7-dimethoxy-1-benzothiophene-2-carboxylic acid

3,7-dimethoxy-1-benzothiophene-2-carboxylic acid (PubChem CID 83919270) has the molecular formula C11H10O4S and a molecular weight of 238.26 g/mol. Its IUPAC name is 3,7-dimethoxy-1-benzothiophene-2-carboxylic acid.

Molecular Properties

Compound Name3,7-dimethoxy-1-benzothiophene-2-carboxylic acid
PubChem CID83919270
Molecular FormulaC11H10O4S
Molecular Weight238.26 g/mol
Exact Mass238.03
IUPAC Name3,7-dimethoxy-1-benzothiophene-2-carboxylic acid
SMILESCOc1c(C(=O)O)sc2c(OC)cccc12
InChIInChI=1S/C11H10O4S/c1-14-7-5-3-4-6-8(15-2)10(11(12)13)16-9(6)7/h3-5H,1-2H3,(H,12,13)
InChIKeyGENYCUJZGWWLJW-UHFFFAOYSA-N
XLogP2.62
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxylic acid;propan-2-yl 7-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxylate
CID 157060993
2-chloro-7-methoxy-1-benzothiophene-3-carboxylic acid
CID 83825002
7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide
CID 67796779
3-methoxythieno[2,3-b]pyridine-2-carboxylic acid
CID 11344821
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
(1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone
CID 116811529
3-(2-fluoro-3-methoxyphenyl)-1-benzothiophene-2-carboxylic acid
CID 168780845
2-[(2,3-dimethoxyphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9149231
1-(7-methoxy-3-methyl-1-benzothiophen-2-yl)-3-methylurea
CID 143739716
3-(2,6-dimethoxyphenyl)thiophene-2-carboxylic acid
CID 116810844
methanol;1-methoxynaphthalene;neptunium
CID 157299455
5-methoxynaphthalene-2,3-dicarboxylic acid
CID 10467078

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethoxy-1-benzothiophene-2-carboxylic acid?
The IUPAC name of 3,7-dimethoxy-1-benzothiophene-2-carboxylic acid (CID 83919270) is 3,7-dimethoxy-1-benzothiophene-2-carboxylic acid.
What is the SMILES notation for 3,7-dimethoxy-1-benzothiophene-2-carboxylic acid?
The canonical SMILES for 3,7-dimethoxy-1-benzothiophene-2-carboxylic acid is COc1c(C(=O)O)sc2c(OC)cccc12.
What is the InChIKey of 3,7-dimethoxy-1-benzothiophene-2-carboxylic acid?
The InChIKey is GENYCUJZGWWLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4S/c1-14-7-5-3-4-6-8(15-2)10(11(12)13)16-9(6)7/h3-5H,1-2H3,(H,12,13).
What are the key properties of 3,7-dimethoxy-1-benzothiophene-2-carboxylic acid?
3,7-dimethoxy-1-benzothiophene-2-carboxylic acid has a molecular weight of 238.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethoxy-1-benzothiophene-2-carboxylic acid is sourced from PubChem (CID 83919270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).