5a-Methyl-2-phenyl-5,5a,7,8-tetrahydronaphtho[2,1-b]furan-6(4h)-one
Basic information
- CAS
30036-89-6- Standard SMILES
CC12CCc3oc(-c4ccccc4)cc3C1=CCCC2=O- InChIKey
KDIXOIOOKFBLEA-UHFFFAOYSA-N- Molecular formula
- C19H18O2
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.13067981
Names & identifiers
- Preferred name
- 5a-Methyl-2-phenyl-5,5a,7,8-tetrahydronaphtho[2,1-b]furan-6(4h)-one
- IUPAC
- 5a-methyl-2-phenyl-4,5,7,8-tetrahydrobenzo[e][1]benzofuran-6-one
Names & synonyms
5a-methyl-2-phenyl-5,5a,7,8-tetrahydronaphtho[2,1-b]furan-6(4h)-one30036-89-6NSC155424DTXSID70302942NSC-155424
Database identifiers
- CAS
30036-89-6- PubChem CID
- 290948
- DTXSID
DTXSID70302942
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 460
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Compound notes
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