Basic information
- Standard SMILES
CC(C)c1ccc(CO)c(=O)c(OCc2ccccc2)c1- InChIKey
SOJCJNNCVQHLSX-UHFFFAOYSA-N- Molecular formula
- C18H20O3
- Average molar mass
- 284.3 g/mol
- Monoisotopic mass
- 284.1412445
Names & identifiers
- Preferred name
- 2-Benzyloxy-7-hydroxymethyl-4-isopropyl-2,4,6-cycloheptatrien-1-one
- IUPAC
- 7-(hydroxymethyl)-2-phenylmethoxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one
Names & synonyms
SCHEMBL7440826SOJCJNNCVQHLSX-UHFFFAOYSA-N2-benzyloxy-7-hydroxymethyl-4-isopropyl-2,4,6-cycloheptatrien-1-one
Database identifiers
- PubChem CID
- 21459953
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 463
Related reactions
3 records
Compound notes
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