Basic information
- Standard SMILES
COC(=O)C1(c2ccc3c(c2)C(C)(C)CO3)CC1- InChIKey
TVYAKAQMCNGRKW-UHFFFAOYSA-N- Molecular formula
- C15H18O3
- Average molar mass
- 246.3 g/mol
Names & identifiers
- Preferred name
- 1-(3,3-Dimethyl-2,3-dihydro-benzofuran-5-yl)-cyclopropanecarboxylic acid methyl ester
- IUPAC
- methyl 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)cyclopropane-1-carboxylate
Names & synonyms
1-(3,3-dimethyl-2,3-dihydro-benzofuran-5-yl)-cyclopropanecarboxylic acid methyl esterSCHEMBL1465606TVYAKAQMCNGRKW-UHFFFAOYSA-N936727-41-2DB-3004801-(3,3-dimethyl-2,3-dihydro-benzofuran-5-yl)cyclopropanecarboxylic acid methyl ester
Database identifiers
- PubChem CID
- 59129355
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 357
Related reactions
35 records
Compound notes
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