Basic information
- CAS
27462-95-9- Standard SMILES
C=CCn1c(C)c(CC(=O)OC)c2cc(OC)ccc21- InChIKey
YKGVRAIWWAVOBE-UHFFFAOYSA-N- Molecular formula
- C16H19NO3
- Average molar mass
- 273.33 g/mol
- Monoisotopic mass
- 273.13649347
Names & identifiers
- Preferred name
- Indole-3-acetic acid, 1-allyl-5-methoxy-2-methyl-, methyl ester
- IUPAC
- methyl 2-(5-methoxy-2-methyl-1-prop-2-enylindol-3-yl)acetate
Names & synonyms
27462-95-9INDOLE-3-ACETIC ACID, 1-ALLYL-5-METHOXY-2-METHYL-, METHYL ESTER1-Allyl-5-methoxy-2-methyl-3-indoleacetic acid methyl esterDTXSID20181880Estere metilico dell' acido 1-allil-2-metil-5-metossi-3-indolilacetico [Italian]Estere metilico dell' acido 1-allil-2-metil-5-metossi-3-indolilaceticoRefChem:349307DTXCID60104371Methyl [5-methoxy-2-methyl-1-(prop-2-en-1-yl)-1H-indol-3-yl]acetate
Database identifiers
- CAS
27462-95-9- PubChem CID
- 33867
- DTXSID
DTXSID20181880
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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