2-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)-2-methylpropanoic acid

C15H19NO3 — CID 82500844

IUPAC2-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)-2-methylpropanoic acid
SMILESCOc1ccc(C)c2c(C(C)(C)C(=O)O)c(C)[nH]c12
InChIInChI=1S/C15H19NO3/c1-8-6-7-10(19-5)13-11(8)12(9(2)16-13)15(3,4)14(17)18/h6-7,16H,1-5H3,(H,17,18)
InChIKeyWODDFTGOEPIKBK-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.16
Rot. Bonds3

About 2-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)-2-methylpropanoic acid

2-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)-2-methylpropanoic acid (PubChem CID 82500844) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)-2-methylpropanoic acid
PubChem CID82500844
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)-2-methylpropanoic acid
SMILESCOc1ccc(C)c2c(C(C)(C)C(=O)O)c(C)[nH]c12
InChIInChI=1S/C15H19NO3/c1-8-6-7-10(19-5)13-11(8)12(9(2)16-13)15(3,4)14(17)18/h6-7,16H,1-5H3,(H,17,18)
InChIKeyWODDFTGOEPIKBK-UHFFFAOYSA-N
XLogP3.16
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-2-amine
CID 84627124
4-ethyl-8-methoxy-5-methyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 84638531
7-methoxy-3,4-dimethyl-1H-indole-2-carbaldehyde
CID 82373470
3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol
CID 82496131
(7-methoxy-3,4-dimethyl-1H-indol-2-yl)methanol
CID 84620551
2-(5-hydroxy-4-methoxy-2-methylphenyl)-2-methylpropanoic acid
CID 105423410
2-(5-tert-butyl-2-methoxyphenyl)-2-methylpropanoic acid
CID 82131491
3-chloro-7-methoxy-4-methyl-1H-indole-2-carbaldehyde
CID 82391920
2-(difluoromethyl)-8-methoxy-5-methyl-1H-quinolin-4-one
CID 55127526
4,7-dimethoxy-3-methyl-1H-indole-2-carboxamide
CID 172970685
2-tert-butyl-8-methoxy-5-methylquinoline-4-carboxylic acid
CID 82184134
2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropanoic acid
CID 82232441

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)-2-methylpropanoic acid (CID 82500844) is 2-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)-2-methylpropanoic acid is COc1ccc(C)c2c(C(C)(C)C(=O)O)c(C)[nH]c12.
What is the InChIKey of 2-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)-2-methylpropanoic acid?
The InChIKey is WODDFTGOEPIKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-8-6-7-10(19-5)13-11(8)12(9(2)16-13)15(3,4)14(17)18/h6-7,16H,1-5H3,(H,17,18).
What are the key properties of 2-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)-2-methylpropanoic acid?
2-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)-2-methylpropanoic acid has a molecular weight of 261.32 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 82500844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).