6-methoxy-4-methyl-7-propan-2-yl-1H-indole-2-carboxylic acid

C14H17NO3 — CID 3998305

IUPAC6-methoxy-4-methyl-7-propan-2-yl-1H-indole-2-carboxylic acid
SMILESCOc1cc(C)c2cc(C(=O)O)[nH]c2c1C(C)C
InChIInChI=1S/C14H17NO3/c1-7(2)12-11(18-4)5-8(3)9-6-10(14(16)17)15-13(9)12/h5-7,15H,1-4H3,(H,16,17)
InChIKeyXGFMJXZHBGYWPN-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.31
Rot. Bonds3

About 6-methoxy-4-methyl-7-propan-2-yl-1H-indole-2-carboxylic acid

6-methoxy-4-methyl-7-propan-2-yl-1H-indole-2-carboxylic acid (PubChem CID 3998305) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 6-methoxy-4-methyl-7-propan-2-yl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-4-methyl-7-propan-2-yl-1H-indole-2-carboxylic acid
PubChem CID3998305
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name6-methoxy-4-methyl-7-propan-2-yl-1H-indole-2-carboxylic acid
SMILESCOc1cc(C)c2cc(C(=O)O)[nH]c2c1C(C)C
InChIInChI=1S/C14H17NO3/c1-7(2)12-11(18-4)5-8(3)9-6-10(14(16)17)15-13(9)12/h5-7,15H,1-4H3,(H,16,17)
InChIKeyXGFMJXZHBGYWPN-UHFFFAOYSA-N
XLogP3.31
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-acetyl-4-methoxy-1H-indole-2-carboxylic acid
CID 12908193
6-methoxy-2,4-dimethyl-7-propan-2-yl-1H-benzimidazole
CID 169298302
2-(2-chloro-3,6-dimethoxy-4-methylphenyl)propanoic acid
CID 117400574
7-(4-chlorobenzoyl)-4-methoxy-1H-indole-2-carboxylic acid
CID 12908178
5,7-dimethoxy-1H-indole-2-carboxylic acid
CID 7131354
4-methoxy-5-methyl-1H-indole-2-carboxylic acid
CID 4262975
6-fluoro-4-methoxy-1H-indole-2-carboxylic acid
CID 67227038
4,6,7-trimethoxy-8-propan-2-ylnaphthalene-2-carboxylic acid
CID 11088021
2,5-dimethoxy-3,6-dimethylbenzoic acid
CID 23538696
4-chloro-5,6-dimethoxy-1H-indole-2-carboxylic acid
CID 55250200
methyl 7-methyl-4-propan-2-yl-1H-indole-2-carboxylate
CID 54101647
(2S)-2-[(4,7-dimethoxy-1H-indole-2-carbonyl)amino]propanoic acid
CID 51342241

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methyl-7-propan-2-yl-1H-indole-2-carboxylic acid?
The IUPAC name of 6-methoxy-4-methyl-7-propan-2-yl-1H-indole-2-carboxylic acid (CID 3998305) is 6-methoxy-4-methyl-7-propan-2-yl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-methoxy-4-methyl-7-propan-2-yl-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-methoxy-4-methyl-7-propan-2-yl-1H-indole-2-carboxylic acid is COc1cc(C)c2cc(C(=O)O)[nH]c2c1C(C)C.
What is the InChIKey of 6-methoxy-4-methyl-7-propan-2-yl-1H-indole-2-carboxylic acid?
The InChIKey is XGFMJXZHBGYWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-7(2)12-11(18-4)5-8(3)9-6-10(14(16)17)15-13(9)12/h5-7,15H,1-4H3,(H,16,17).
What are the key properties of 6-methoxy-4-methyl-7-propan-2-yl-1H-indole-2-carboxylic acid?
6-methoxy-4-methyl-7-propan-2-yl-1H-indole-2-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methyl-7-propan-2-yl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 3998305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).