3-(5-methoxy-3,7-dimethyl-1H-indol-2-yl)butanoic acid

C15H19NO3 — CID 84638582

IUPAC3-(5-methoxy-3,7-dimethyl-1H-indol-2-yl)butanoic acid
SMILESCOc1cc(C)c2[nH]c(C(C)CC(=O)O)c(C)c2c1
InChIInChI=1S/C15H19NO3/c1-8-5-11(19-4)7-12-10(3)14(16-15(8)12)9(2)6-13(17)18/h5,7,9,16H,6H2,1-4H3,(H,17,18)
InChIKeyMTOLCTZINFQDHK-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.37
Rot. Bonds4

About 3-(5-methoxy-3,7-dimethyl-1H-indol-2-yl)butanoic acid

3-(5-methoxy-3,7-dimethyl-1H-indol-2-yl)butanoic acid (PubChem CID 84638582) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(5-methoxy-3,7-dimethyl-1H-indol-2-yl)butanoic acid.

Molecular Properties

Compound Name3-(5-methoxy-3,7-dimethyl-1H-indol-2-yl)butanoic acid
PubChem CID84638582
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-(5-methoxy-3,7-dimethyl-1H-indol-2-yl)butanoic acid
SMILESCOc1cc(C)c2[nH]c(C(C)CC(=O)O)c(C)c2c1
InChIInChI=1S/C15H19NO3/c1-8-5-11(19-4)7-12-10(3)14(16-15(8)12)9(2)6-13(17)18/h5,7,9,16H,6H2,1-4H3,(H,17,18)
InChIKeyMTOLCTZINFQDHK-UHFFFAOYSA-N
XLogP3.37
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-methoxy-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 5207147
3-(2,4,6-trimethoxyphenyl)butanoic acid
CID 112513775
2-(6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid
CID 84641954
3-formyl-5-methoxy-7-methyl-1H-indole-2-carboxylic acid
CID 84627395
2-[5-methoxy-7-methyl-2-(3-methylphenyl)-1H-indol-3-yl]acetic acid
CID 3914330
3-(4-ethoxy-2,6-dimethylphenyl)butanoic acid
CID 83958958
3-(2-aminoethyl)-6-methoxy-4,8-dimethyl-1H-quinolin-2-one
CID 84632299
1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)propan-2-amine
CID 82495879
2-[2-(3,4-dichlorophenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid
CID 3909439
3-(4-methoxy-6-oxopyran-2-yl)butanoic acid
CID 75368777
6-methoxy-8-methyl-2-propyl-1H-quinolin-4-one
CID 62872824
2-[5-methoxy-7-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid
CID 5137244

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-3,7-dimethyl-1H-indol-2-yl)butanoic acid?
The IUPAC name of 3-(5-methoxy-3,7-dimethyl-1H-indol-2-yl)butanoic acid (CID 84638582) is 3-(5-methoxy-3,7-dimethyl-1H-indol-2-yl)butanoic acid.
What is the SMILES notation for 3-(5-methoxy-3,7-dimethyl-1H-indol-2-yl)butanoic acid?
The canonical SMILES for 3-(5-methoxy-3,7-dimethyl-1H-indol-2-yl)butanoic acid is COc1cc(C)c2[nH]c(C(C)CC(=O)O)c(C)c2c1.
What is the InChIKey of 3-(5-methoxy-3,7-dimethyl-1H-indol-2-yl)butanoic acid?
The InChIKey is MTOLCTZINFQDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-8-5-11(19-4)7-12-10(3)14(16-15(8)12)9(2)6-13(17)18/h5,7,9,16H,6H2,1-4H3,(H,17,18).
What are the key properties of 3-(5-methoxy-3,7-dimethyl-1H-indol-2-yl)butanoic acid?
3-(5-methoxy-3,7-dimethyl-1H-indol-2-yl)butanoic acid has a molecular weight of 261.32 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-3,7-dimethyl-1H-indol-2-yl)butanoic acid is sourced from PubChem (CID 84638582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).