1-(6-Butanoyl-7-hydroxy-9,10-dihydrophenanthren-1-yl)butan-1-one
Basic information
- CAS
7466-52-6- Standard SMILES
CCCC(=O)c1cc2c(cc1O)CCc1c(C(=O)CCC)cccc1-2- InChIKey
ZAIKKKBSZVDNKA-UHFFFAOYSA-N- Molecular formula
- C22H24O3
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.17254462
Names & identifiers
- Preferred name
- 1-(6-Butanoyl-7-hydroxy-9,10-dihydrophenanthren-1-yl)butan-1-one
- IUPAC
- 1-(6-butanoyl-7-hydroxy-9,10-dihydrophenanthren-1-yl)butan-1-one
Names & synonyms
7466-52-6NSC4026451-(6-butanoyl-7-hydroxy-9,10-dihydrophenanthren-1-yl)butan-1-oneDTXSID20322993NSC-4026451,1'-(7-Hydroxy-9,10-dihydrophenanthrene-1,6-diyl)di(butan-1-one)
Database identifiers
- CAS
7466-52-6- PubChem CID
- 345207
- DTXSID
DTXSID20322993
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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