Basic information
- Standard SMILES
COc1ccc(CCOc2cc(C(C)C)ccc(CO)c2=O)cc1OC- InChIKey
HNZUZMXNNMSECI-UHFFFAOYSA-N- Molecular formula
- C21H26O5
- Average molar mass
- 358.4 g/mol
Names & identifiers
- Preferred name
- 2-[2-(3,4-Dimethoxyphenyl)ethoxy]-7-hydroxymethyl-4-isopropyl-2,4,6-cycloheptatrien-1-one
- IUPAC
- 2-[2-(3,4-dimethoxyphenyl)ethoxy]-7-(hydroxymethyl)-4-propan-2-ylcyclohepta-2,4,6-trien-1-one
Names & synonyms
SCHEMBL7439510HNZUZMXNNMSECI-UHFFFAOYSA-N2-[2-(3,4-dimethoxyphenyl)ethoxy]-7-hydroxymethyl-4-isopropyl-2,4,6-cycloheptatrien-1-one
Database identifiers
- PubChem CID
- 21459938
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 573
Related reactions
3 records
Compound notes
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