5-methoxy-2-methyl-1-(2-methylpropyl)indole-3-carboxylic acid

C15H19NO3 — CID 659107

IUPAC5-methoxy-2-methyl-1-(2-methylpropyl)indole-3-carboxylic acid
SMILESCOc1ccc2c(c1)c(C(=O)O)c(C)n2CC(C)C
InChIInChI=1S/C15H19NO3/c1-9(2)8-16-10(3)14(15(17)18)12-7-11(19-4)5-6-13(12)16/h5-7,9H,8H2,1-4H3,(H,17,18)
InChIKeyYWYIKVVRPBFHPK-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.31
Rot. Bonds4

About 5-methoxy-2-methyl-1-(2-methylpropyl)indole-3-carboxylic acid

5-methoxy-2-methyl-1-(2-methylpropyl)indole-3-carboxylic acid (PubChem CID 659107) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-methoxy-2-methyl-1-(2-methylpropyl)indole-3-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-2-methyl-1-(2-methylpropyl)indole-3-carboxylic acid
PubChem CID659107
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name5-methoxy-2-methyl-1-(2-methylpropyl)indole-3-carboxylic acid
SMILESCOc1ccc2c(c1)c(C(=O)O)c(C)n2CC(C)C
InChIInChI=1S/C15H19NO3/c1-9(2)8-16-10(3)14(15(17)18)12-7-11(19-4)5-6-13(12)16/h5-7,9H,8H2,1-4H3,(H,17,18)
InChIKeyYWYIKVVRPBFHPK-UHFFFAOYSA-N
XLogP3.31
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Mecarbinate
CID 616236
Jwh 302
CID 11493740
Methyl 5-Hydroxy-1H-Indole-3-Carboxylate
CID 14144546
5-Methoxy-1-methyl-1H-indole-2-carboxylic acid
CID 647460
1-(5-Hydroxy-2-methyl-1-phenyl-1H-indol-3-yl)ethanone
CID 781247
Iodoindomethacin
CID 447835
(1-Benzyl-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid
CID 1372
1-Benzoyl-5-methoxy-2-methylindole-3-acetic acid
CID 4177957
Ethyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 628089
ethyl 6-bromo-5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate
CID 748686
1-[2-(3,4-Dimethoxyphenyl)ethyl]-5-methoxy-2-methylindole-3-carboxylic acid
CID 1082708
3-acetyl-1-(4-ethoxyphenyl)-2-methyl-1H-indol-5-yl acetate
CID 1150669

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-1-(2-methylpropyl)indole-3-carboxylic acid?
The IUPAC name of 5-methoxy-2-methyl-1-(2-methylpropyl)indole-3-carboxylic acid (CID 659107) is 5-methoxy-2-methyl-1-(2-methylpropyl)indole-3-carboxylic acid.
What is the SMILES notation for 5-methoxy-2-methyl-1-(2-methylpropyl)indole-3-carboxylic acid?
The canonical SMILES for 5-methoxy-2-methyl-1-(2-methylpropyl)indole-3-carboxylic acid is COc1ccc2c(c1)c(C(=O)O)c(C)n2CC(C)C.
What is the InChIKey of 5-methoxy-2-methyl-1-(2-methylpropyl)indole-3-carboxylic acid?
The InChIKey is YWYIKVVRPBFHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-9(2)8-16-10(3)14(15(17)18)12-7-11(19-4)5-6-13(12)16/h5-7,9H,8H2,1-4H3,(H,17,18).
What are the key properties of 5-methoxy-2-methyl-1-(2-methylpropyl)indole-3-carboxylic acid?
5-methoxy-2-methyl-1-(2-methylpropyl)indole-3-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-1-(2-methylpropyl)indole-3-carboxylic acid is sourced from PubChem (CID 659107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).