2-Methyl-1H-indole-3-acetic acid

C₁₁H₁₁NO₂CAS 1912-43-2189.21 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₁H₁₁NO₂
Molar mass: 189.21 g/mol
Exact mass: 189.0790 Da
Melting point: 199–200 °C
logP: 2.10Crippen estimate
Polar surface area: 53.1 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 2

Identifiers

CAS number

1912-43-2

SMILES

Cc1[nH]c2ccccc2c1CC(=O)O

InChIKey

QJNNHJVSQUUHHE-UHFFFAOYSA-N

InChI

InChI=1S/C11H11NO2/c1-7-9(6-11(13)14)8-4-2-3-5-10(8)12-7/h2-5,12H,6H2,1H3,(H,13,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

1H-Indole-3-acetic acid, 2-methyl-
Indole-3-acetic acid, 2-methyl-
2-Methylindole-3-acetic acid
2-Methyl-3-indolylacetic acid
2-(2-Methyl-1H-indol-3-yl)acetic acid
(2-Methyl-1H-indol-3-yl)acetic acid

Work with 2-Methyl-1H-indole-3-acetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Methoxy-2-methylindole-3-acetic acid2882-15-764 % similar 2-Methyltryptamine2731-06-853 % similar Indole-3-acetic acid87-51-450 % similar 2,3-Dimethylindole91-55-445 % similar (2-Methylphenyl)acetic acid644-36-044 % similar 3-Methylbenzo[B]thiophene-2-acetic acid1505-52-843 % similar 1,2-Benzenediacetic acid7500-53-043 % similar 2-Methylindole-3-carboxaldehyde5416-80-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

β-Indolylacetic acid methyl ester1912-33-0 5-Methyl-3-indoleacetic acid1912-47-6 1,2-Dimethyl-1H-indole-3-carboxylic acid20357-15-7 N-Isopropylphthalimide304-17-6 3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile35202-54-1 4-(2-Oxo-1-pyrrolidinyl)benzaldehyde36151-45-8 Ethyl 1H-indole-2-carboxylate3770-50-1 Ethyl α-cyanophenylacetate4553-07-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook