7-methoxy-2-methyl-1H-indole-3-carboxylic acid

C11H11NO3 — CID 65335303

IUPAC7-methoxy-2-methyl-1H-indole-3-carboxylic acid
SMILESCOc1cccc2c(C(=O)O)c(C)[nH]c12
InChIInChI=1S/C11H11NO3/c1-6-9(11(13)14)7-4-3-5-8(15-2)10(7)12-6/h3-5,12H,1-2H3,(H,13,14)
InChIKeyARJNLHYCQMPIAN-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.18
Rot. Bonds2

About 7-methoxy-2-methyl-1H-indole-3-carboxylic acid

7-methoxy-2-methyl-1H-indole-3-carboxylic acid (PubChem CID 65335303) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 7-methoxy-2-methyl-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-2-methyl-1H-indole-3-carboxylic acid
PubChem CID65335303
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name7-methoxy-2-methyl-1H-indole-3-carboxylic acid
SMILESCOc1cccc2c(C(=O)O)c(C)[nH]c12
InChIInChI=1S/C11H11NO3/c1-6-9(11(13)14)7-4-3-5-8(15-2)10(7)12-6/h3-5,12H,1-2H3,(H,13,14)
InChIKeyARJNLHYCQMPIAN-UHFFFAOYSA-N
XLogP2.18
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-2-methyl-1H-indole-3-carboxylic acid
CID 65335195
2-(ethylamino)-1-(7-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 96675267
(4-fluoronaphthalen-1-yl)-(7-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 19366786
7-methoxy-N-(3-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110859939
7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
CID 110852178
7-methoxy-2-methyl-5-nitro-1H-indole-3-carboxylic acid
CID 155895736
2-(7-methoxy-2-methyl-1H-indol-3-yl)acetaldehyde
CID 112710911
N-(3-cyanophenyl)-7-methoxy-2-methyl-1H-indole-3-carboxamide
CID 110864775
1-(7-methoxy-3-methyl-1H-indol-2-yl)cyclobutane-1-carboxylic acid
CID 82665632
N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]ethanamine
CID 65335513
4-methoxy-10H-indolo[3,2-b]quinoline-11-carboxylic acid
CID 10493837
8-methoxy-3-methyl-2-phenyl-1H-quinolin-4-one
CID 104845886

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-1H-indole-3-carboxylic acid?
The IUPAC name of 7-methoxy-2-methyl-1H-indole-3-carboxylic acid (CID 65335303) is 7-methoxy-2-methyl-1H-indole-3-carboxylic acid.
What is the SMILES notation for 7-methoxy-2-methyl-1H-indole-3-carboxylic acid?
The canonical SMILES for 7-methoxy-2-methyl-1H-indole-3-carboxylic acid is COc1cccc2c(C(=O)O)c(C)[nH]c12.
What is the InChIKey of 7-methoxy-2-methyl-1H-indole-3-carboxylic acid?
The InChIKey is ARJNLHYCQMPIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-6-9(11(13)14)7-4-3-5-8(15-2)10(7)12-6/h3-5,12H,1-2H3,(H,13,14).
What are the key properties of 7-methoxy-2-methyl-1H-indole-3-carboxylic acid?
7-methoxy-2-methyl-1H-indole-3-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-1H-indole-3-carboxylic acid is sourced from PubChem (CID 65335303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).