Basic information
- Standard SMILES
C=C(C)c1ccc2c(c1)C[C@@H](C)OC2=O- InChIKey
LWZBWWUTJLHLSQ-SECBINFHSA-N- Molecular formula
- C13H14O2
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.09937969
Names & identifiers
- Preferred name
- (3R)-3-methyl-6-(prop-1-en-2-yl)-3,4-dihydro-1H-isochromen-1-one
- IUPAC
- (3R)-3-methyl-6-prop-1-en-2-yl-3,4-dihydroisochromen-1-one
Names & synonyms
SCHEMBL15017960LWZBWWUTJLHLSQ-SECBINFHSA-N(3R)-3-methyl-6-(prop-1-en-2-yl)-3,4-dihydro-1H-isochromen-1-one
Database identifiers
- PubChem CID
- 89619009
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 282
Related reactions
2 records
Compound notes
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