methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate

HCID 82067CAS 7588-36-5

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Basic information

Standard SMILES: COC(=O)Cc1c(C)[nH]c2ccc(OC)cc12
InChIKey: JYUNCKSXPPDNRM-UHFFFAOYSA-N
Molecular formula: C13H15NO3
Average molar mass: 233.26 g/mol
Monoisotopic mass: 233.10519334

Names & identifiers

Preferred name: methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate
IUPAC: methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate
English name: methyl 5-methoxy-2-methyl-1H-indole-3-acetate
Molecular formula: C13H15NO3
Molecular weight: 233.26

Names & synonyms

7588-36-5methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetateMethyl 5-Methoxy-2-methylindole-3-acetateMethyl 5-methoxy-2-methyl-1H-indole-3-acetateMFCD002185491H-Indole-3-acetic acid, 5-methoxy-2-methyl-, methyl esterMethyl (5-methoxy-2-methyl-1H-indol-3-yl)acetateIndole-3-acetic acid, 5-methoxy-2-methyl-, methyl esterMethyl 5-Methoxy-2-methylindole-3-acetate; 1H-Indole-3-acetic acid, 5-methoxy-2-methyl-, methyl ester; Indole-3-acetic acid, 5-methoxy-2-methyl-, methyl ester (7CI,8CI); 5-Methoxy-2-methylindole-3-acetic acid methyl ester; Methyl 5-methoxy-2-methylindole-3-acetateEINECS 231-497-4Oprea1_567770methyl2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate

Show more names

ZIDO-0015-Methoxy-2-Methyl-Acrylamide Impurity 21Eethyl 5-methoxy-2-methyl-1H-indole-3-acetate1H-Indole-3-acetic acid,5-methoxy-2-methyl-,methyl ester

SCHEMBL68251515-methoxy-2-methyl-1h-indole-3-acetic acid methyl esterSCHEMBL30604527DTXSID40226782AKOS015851515DS-8672FM25452SY115828

Database identifiers

CAS: 7588-36-5
PubChem CID: 82067
DTXSID: DTXSID40226782
EC Number: 231-497-4
Nikkaji: J104.327G

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 51.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 282

Physicochemical properties

Melting point: 65 · 65-68°C
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform, Ethyl Acetate, Methanol
form: Solid
color: Beige
InChI: InChI=1S/C13H15NO3/c1-8-10(7-13(15)17-3)11-6-9(16-2)4-5-12(11)14-8/h4-6,14H,7H2,1-3H3
InChIKey: JYUNCKSXPPDNRM-UHFFFAOYSA-N
SMILES: N1C2=C(C=C(OC)C=C2)C(CC(OC)=O)=C1C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H317
Precautionary statements: 280 · P280