2-hydroxy-2-(7-methoxy-2-methyl-1,1-dioxo-1-benzothiophen-3-yl)acetic acid

C12H12O6S — CID 115073142

IUPAC2-hydroxy-2-(7-methoxy-2-methyl-1,1-dioxo-1-benzothiophen-3-yl)acetic acid
SMILESCOc1cccc2c1S(=O)(=O)C(C)=C2C(O)C(=O)O
InChIInChI=1S/C12H12O6S/c1-6-9(10(13)12(14)15)7-4-3-5-8(18-2)11(7)19(6,16)17/h3-5,10,13H,1-2H3,(H,14,15)
InChIKeySSDIWWNEKIBCNM-UHFFFAOYSA-N
MW284.29 g/mol
LogP0.66
Rot. Bonds3

About 2-hydroxy-2-(7-methoxy-2-methyl-1,1-dioxo-1-benzothiophen-3-yl)acetic acid

2-hydroxy-2-(7-methoxy-2-methyl-1,1-dioxo-1-benzothiophen-3-yl)acetic acid (PubChem CID 115073142) has the molecular formula C12H12O6S and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-hydroxy-2-(7-methoxy-2-methyl-1,1-dioxo-1-benzothiophen-3-yl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(7-methoxy-2-methyl-1,1-dioxo-1-benzothiophen-3-yl)acetic acid
PubChem CID115073142
Molecular FormulaC12H12O6S
Molecular Weight284.29 g/mol
Exact Mass284.04
IUPAC Name2-hydroxy-2-(7-methoxy-2-methyl-1,1-dioxo-1-benzothiophen-3-yl)acetic acid
SMILESCOc1cccc2c1S(=O)(=O)C(C)=C2C(O)C(=O)O
InChIInChI=1S/C12H12O6S/c1-6-9(10(13)12(14)15)7-4-3-5-8(18-2)11(7)19(6,16)17/h3-5,10,13H,1-2H3,(H,14,15)
InChIKeySSDIWWNEKIBCNM-UHFFFAOYSA-N
XLogP0.66
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-2-(7-methoxy-2-methyl-1,1-dioxo-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-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
2-hydroxy-2-(3-methoxy-2-propan-2-yloxyphenyl)acetic acid
CID 117352972
2-[2-(3-chloro-2-oxopropyl)-3-methoxyphenyl]-2-hydroxyacetic acid
CID 135740943
2-hydroxy-2-(7-methoxy-1-benzothiophen-2-yl)acetic acid
CID 115072407
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
(2S)-2-amino-2-(2-iodo-6-methoxyphenyl)acetic acid
CID 131029267
7-methoxy-1,1-dioxo-1,2-benzothiazol-3-one
CID 102084003
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
CID 736173
2-hydroxy-2-(7-methoxy-2-methyl-1-propan-2-ylindol-3-yl)acetic acid
CID 115073168
1-(2-fluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone
CID 103458248
2-(2,6-diiodo-3-methoxyphenyl)-2-hydroxyacetic acid
CID 118998450
2-(2,6-dimethoxyphenyl)-3-methylbutanoic acid
CID 116810992

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(7-methoxy-2-methyl-1,1-dioxo-1-benzothiophen-3-yl)acetic acid?
The IUPAC name of 2-hydroxy-2-(7-methoxy-2-methyl-1,1-dioxo-1-benzothiophen-3-yl)acetic acid (CID 115073142) is 2-hydroxy-2-(7-methoxy-2-methyl-1,1-dioxo-1-benzothiophen-3-yl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(7-methoxy-2-methyl-1,1-dioxo-1-benzothiophen-3-yl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(7-methoxy-2-methyl-1,1-dioxo-1-benzothiophen-3-yl)acetic acid is COc1cccc2c1S(=O)(=O)C(C)=C2C(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-(7-methoxy-2-methyl-1,1-dioxo-1-benzothiophen-3-yl)acetic acid?
The InChIKey is SSDIWWNEKIBCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O6S/c1-6-9(10(13)12(14)15)7-4-3-5-8(18-2)11(7)19(6,16)17/h3-5,10,13H,1-2H3,(H,14,15).
What are the key properties of 2-hydroxy-2-(7-methoxy-2-methyl-1,1-dioxo-1-benzothiophen-3-yl)acetic acid?
2-hydroxy-2-(7-methoxy-2-methyl-1,1-dioxo-1-benzothiophen-3-yl)acetic acid has a molecular weight of 284.29 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(7-methoxy-2-methyl-1,1-dioxo-1-benzothiophen-3-yl)acetic acid is sourced from PubChem (CID 115073142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).