4-(7-methoxy-1,4-dimethylindol-3-yl)butanoic acid

C15H19NO3 — CID 82500843

IUPAC4-(7-methoxy-1,4-dimethylindol-3-yl)butanoic acid
SMILESCOc1ccc(C)c2c(CCCC(=O)O)cn(C)c12
InChIInChI=1S/C15H19NO3/c1-10-7-8-12(19-3)15-14(10)11(9-16(15)2)5-4-6-13(17)18/h7-9H,4-6H2,1-3H3,(H,17,18)
InChIKeyPOAYICYLMJLIBF-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.90
Rot. Bonds5

About 4-(7-methoxy-1,4-dimethylindol-3-yl)butanoic acid

4-(7-methoxy-1,4-dimethylindol-3-yl)butanoic acid (PubChem CID 82500843) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(7-methoxy-1,4-dimethylindol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(7-methoxy-1,4-dimethylindol-3-yl)butanoic acid
PubChem CID82500843
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name4-(7-methoxy-1,4-dimethylindol-3-yl)butanoic acid
SMILESCOc1ccc(C)c2c(CCCC(=O)O)cn(C)c12
InChIInChI=1S/C15H19NO3/c1-10-7-8-12(19-3)15-14(10)11(9-16(15)2)5-4-6-13(17)18/h7-9H,4-6H2,1-3H3,(H,17,18)
InChIKeyPOAYICYLMJLIBF-UHFFFAOYSA-N
XLogP2.90
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-methoxy-1,4-dimethylindol-3-yl)propan-1-amine
CID 82495903
1-(7-methoxy-1,4-dimethylindol-3-yl)propan-2-one
CID 82495456
3-(7-methoxy-1,4-dimethylindol-2-yl)propanoic acid
CID 84741857
4-(3-methoxy-2-methylphenyl)butanoic acid
CID 18626500
3-(5-methoxy-1-methyl-4-nitroindol-3-yl)propanoic acid
CID 126574372
2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid
CID 82501280
5-(4-methoxy-2,5-dimethylphenyl)pentanoic acid
CID 93185741
ethyl 4,7-dimethoxy-1-methylindole-3-carboxylate
CID 100984244
2-(7-methoxy-1,4-dimethylindol-2-yl)acetic acid
CID 83859941
3-(5,7-dimethoxy-1-methylindol-3-yl)propanoic acid
CID 82501282
4-(3-chloro-2-hydroxy-4-methylphenyl)butanoic acid
CID 117329471
5-(2-methoxyphenyl)pentanoic acid
CID 25050817

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-1,4-dimethylindol-3-yl)butanoic acid?
The IUPAC name of 4-(7-methoxy-1,4-dimethylindol-3-yl)butanoic acid (CID 82500843) is 4-(7-methoxy-1,4-dimethylindol-3-yl)butanoic acid.
What is the SMILES notation for 4-(7-methoxy-1,4-dimethylindol-3-yl)butanoic acid?
The canonical SMILES for 4-(7-methoxy-1,4-dimethylindol-3-yl)butanoic acid is COc1ccc(C)c2c(CCCC(=O)O)cn(C)c12.
What is the InChIKey of 4-(7-methoxy-1,4-dimethylindol-3-yl)butanoic acid?
The InChIKey is POAYICYLMJLIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-7-8-12(19-3)15-14(10)11(9-16(15)2)5-4-6-13(17)18/h7-9H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 4-(7-methoxy-1,4-dimethylindol-3-yl)butanoic acid?
4-(7-methoxy-1,4-dimethylindol-3-yl)butanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-1,4-dimethylindol-3-yl)butanoic acid is sourced from PubChem (CID 82500843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).