Basic information
- CAS
117902-80-4- Standard SMILES
CCOc1c(OC)cc2c(c1C)C=CC(C)(C)O2- InChIKey
JRMSNDNMSQNZLO-UHFFFAOYSA-N- Molecular formula
- C15H20O3
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.1412445
Names & identifiers
- Preferred name
- 6-Ethoxy-7-methoxy-2,2,5-trimethylchromene
- IUPAC
- 6-ethoxy-7-methoxy-2,2,5-trimethylchromene
Names & synonyms
6-Ethoxy-7-methoxy-2,2,5-trimethylchromene117902-80-4DTXSID00151945RefChem:308233DTXCID9074436CHEMBL22895386-Ethoxy-7-methoxy-2,2,5-trimethyl-2H-1-benzopyran
Database identifiers
- CAS
117902-80-4- PubChem CID
- 189529
- DTXSID
DTXSID00151945- ChEMBL
CHEMBL2289538- Nikkaji
- J439.293K
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…