1-(7-Hydroxy-9,10-dihydrophenanthren-2-yl)butan-1-one
Basic information
- CAS
7466-51-5- Standard SMILES
CCCC(=O)c1ccc2c(c1)CCc1cc(O)ccc1-2- InChIKey
HKYPHDOMBXSSKR-UHFFFAOYSA-N- Molecular formula
- C18H18O2
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 266.13067981
Names & identifiers
- Preferred name
- 1-(7-Hydroxy-9,10-dihydrophenanthren-2-yl)butan-1-one
- IUPAC
- 1-(7-hydroxy-9,10-dihydrophenanthren-2-yl)butan-1-one
Names & synonyms
7466-51-5NSC 4026431-(7-hydroxy-9,10-dihydrophenanthren-2-yl)butan-1-oneNSC402643DTXSID60322992NSC-402643
Database identifiers
- CAS
7466-51-5- PubChem CID
- 345205
- DTXSID
DTXSID60322992
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 351
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Compound notes
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