2-(7-methoxy-1,4-dimethylindol-2-yl)acetic acid

C13H15NO3 — CID 83859941

IUPAC2-(7-methoxy-1,4-dimethylindol-2-yl)acetic acid
SMILESCOc1ccc(C)c2cc(CC(=O)O)n(C)c12
InChIInChI=1S/C13H15NO3/c1-8-4-5-11(17-3)13-10(8)6-9(14(13)2)7-12(15)16/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyFNIZIYNDDWRKQG-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.12
Rot. Bonds3

About 2-(7-methoxy-1,4-dimethylindol-2-yl)acetic acid

2-(7-methoxy-1,4-dimethylindol-2-yl)acetic acid (PubChem CID 83859941) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(7-methoxy-1,4-dimethylindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(7-methoxy-1,4-dimethylindol-2-yl)acetic acid
PubChem CID83859941
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-(7-methoxy-1,4-dimethylindol-2-yl)acetic acid
SMILESCOc1ccc(C)c2cc(CC(=O)O)n(C)c12
InChIInChI=1S/C13H15NO3/c1-8-4-5-11(17-3)13-10(8)6-9(14(13)2)7-12(15)16/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyFNIZIYNDDWRKQG-UHFFFAOYSA-N
XLogP2.12
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-methoxy-1,4-dimethylindol-2-yl)propanoic acid
CID 84741857
7-methoxy-1,4-dimethylindole-2-carboxylic acid
CID 83486446
1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone
CID 82372628
methyl 7-methoxy-1,4-dimethylindole-2-carboxylate
CID 132843169
2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid
CID 82501280
2-(2-fluoro-3-methoxy-4-methylphenyl)acetic acid
CID 171019420
4-(7-methoxy-1,4-dimethylindol-3-yl)butanoic acid
CID 82500843
2-(4-chloro-7-methoxy-1-methylindol-2-yl)-N-methylethanamine
CID 84634780
2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid
CID 84668061
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
4,7-dimethoxy-1-methylindole-2-carboxylate
CID 6953965
2-(7-ethyl-1-methylindol-2-yl)acetic acid
CID 83859943

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-1,4-dimethylindol-2-yl)acetic acid?
The IUPAC name of 2-(7-methoxy-1,4-dimethylindol-2-yl)acetic acid (CID 83859941) is 2-(7-methoxy-1,4-dimethylindol-2-yl)acetic acid.
What is the SMILES notation for 2-(7-methoxy-1,4-dimethylindol-2-yl)acetic acid?
The canonical SMILES for 2-(7-methoxy-1,4-dimethylindol-2-yl)acetic acid is COc1ccc(C)c2cc(CC(=O)O)n(C)c12.
What is the InChIKey of 2-(7-methoxy-1,4-dimethylindol-2-yl)acetic acid?
The InChIKey is FNIZIYNDDWRKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8-4-5-11(17-3)13-10(8)6-9(14(13)2)7-12(15)16/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of 2-(7-methoxy-1,4-dimethylindol-2-yl)acetic acid?
2-(7-methoxy-1,4-dimethylindol-2-yl)acetic acid has a molecular weight of 233.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-1,4-dimethylindol-2-yl)acetic acid is sourced from PubChem (CID 83859941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).