2-(6-methoxy-2-methyl-1-benzothiophen-3-yl)acetic acid

C12H12O3S — CID 83912133

IUPAC2-(6-methoxy-2-methyl-1-benzothiophen-3-yl)acetic acid
SMILESCOc1ccc2c(CC(=O)O)c(C)sc2c1
InChIInChI=1S/C12H12O3S/c1-7-10(6-12(13)14)9-4-3-8(15-2)5-11(9)16-7/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyHXXWUPMGVUTPBS-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.85
Rot. Bonds3

About 2-(6-methoxy-2-methyl-1-benzothiophen-3-yl)acetic acid

2-(6-methoxy-2-methyl-1-benzothiophen-3-yl)acetic acid (PubChem CID 83912133) has the molecular formula C12H12O3S and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(6-methoxy-2-methyl-1-benzothiophen-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methoxy-2-methyl-1-benzothiophen-3-yl)acetic acid
PubChem CID83912133
Molecular FormulaC12H12O3S
Molecular Weight236.29 g/mol
Exact Mass236.05
IUPAC Name2-(6-methoxy-2-methyl-1-benzothiophen-3-yl)acetic acid
SMILESCOc1ccc2c(CC(=O)O)c(C)sc2c1
InChIInChI=1S/C12H12O3S/c1-7-10(6-12(13)14)9-4-3-8(15-2)5-11(9)16-7/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyHXXWUPMGVUTPBS-UHFFFAOYSA-N
XLogP2.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(6-methoxy-2-methyl-1-benzothiophen-3-yl)acetic 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

2-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene
CID 130969587
3-amino-6-methoxy-1-benzothiophene-2-carboxylic acid
CID 57099213
2-(1,3-dihydroxy-6-methoxynaphthalen-2-yl)acetic acid
CID 91153958
2-(6-methoxynaphthalen-1-yl)acetic acid
CID 10398394
(6-methoxy-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone
CID 177382285
3-cycloheptyl-6-methoxy-2-methyl-1-benzothiophene
CID 69482888
(6-methoxy-3-methyl-1-benzothiophen-2-yl)urea
CID 143739797
2-(7-methoxy-4-methylquinolin-2-yl)acetic acid
CID 82574913
2-[5-methoxy-2-methyl-1-(2-methylpropyl)indol-3-yl]acetic acid
CID 23368755
2-(1-ethyl-6-methoxy-2-methyl-4-oxoquinolin-3-yl)acetic acid
CID 82248163
2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 3597167
5-methoxy-2,3-dimethyl-1-benzothiophene
CID 58777526

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-methyl-1-benzothiophen-3-yl)acetic acid?
The IUPAC name of 2-(6-methoxy-2-methyl-1-benzothiophen-3-yl)acetic acid (CID 83912133) is 2-(6-methoxy-2-methyl-1-benzothiophen-3-yl)acetic acid.
What is the SMILES notation for 2-(6-methoxy-2-methyl-1-benzothiophen-3-yl)acetic acid?
The canonical SMILES for 2-(6-methoxy-2-methyl-1-benzothiophen-3-yl)acetic acid is COc1ccc2c(CC(=O)O)c(C)sc2c1.
What is the InChIKey of 2-(6-methoxy-2-methyl-1-benzothiophen-3-yl)acetic acid?
The InChIKey is HXXWUPMGVUTPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3S/c1-7-10(6-12(13)14)9-4-3-8(15-2)5-11(9)16-7/h3-5H,6H2,1-2H3,(H,13,14).
What are the key properties of 2-(6-methoxy-2-methyl-1-benzothiophen-3-yl)acetic acid?
2-(6-methoxy-2-methyl-1-benzothiophen-3-yl)acetic acid has a molecular weight of 236.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-methyl-1-benzothiophen-3-yl)acetic acid is sourced from PubChem (CID 83912133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).