Basic information
- CAS
18381-99-2- Standard SMILES
COC1=CC(=O)OC(C)(c2ccccc2)C1- InChIKey
AQXPHIBTEWIJBS-UHFFFAOYSA-N- Molecular formula
- C13H14O3
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.0942943
Names & identifiers
- Preferred name
- 4-Methoxy-6-methyl-6-phenyl-5H-pyran-2-one
- IUPAC
- 4-methoxy-2-methyl-2-phenyl-3H-pyran-6-one
- English name
- 4-methoxy-6-methyl-6-phenyl-5H-pyran-2-one
- Molecular formula
- C13H14O3
- Molecular weight
- 0
Names & synonyms
4-METHOXY-6-METHYL-6-PHENYL-5H-PYRAN-2-ONE18381-99-24-methoxy-2-methyl-2-phenyl-3H-pyran-6-oneMLS0026389644-methoxy-6-methyl-6-phenyl-5,6-dihydro-2h-pyran-2-oneNSC23872CHEMBL449643DTXSID20282023HMS3085K11NCI-23872NSC-23872SMR001548424
Show more names
DS-0054294-methoxy-6-methyl-6-phenyl-5,6-dihydro-2H- pyran-2-one
Database identifiers
- CAS
18381-99-2- PubChem CID
- 229847
- DTXSID
DTXSID20282023- ChEMBL
CHEMBL449643- Nikkaji
- J1.892.693H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 302
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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