15,16-Dihydro-1,11-methanocyclopenta(a)phenanthren-17-one
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Basic information
- CAS
72041-34-0- Standard SMILES
O=C1CCc2c1cc1c3c2ccc2cccc(c23)C1- InChIKey
GQEAXOLSWXBKCS-UHFFFAOYSA-N- Molecular formula
- C18H12O
- Average molar mass
- 244.3 g/mol
- Monoisotopic mass
- 244.088815
Overview
structure given in first source
Names & identifiers
- Preferred name
- 15,16-Dihydro-1,11-methanocyclopenta(a)phenanthren-17-one
- IUPAC
- pentacyclo[13.2.1.03,7.08,17.011,16]octadeca-1,3(7),8(17),9,11(16),12,14-heptaen-4-one
- English name
- 15,16-dihydro-1,11-methanocyclopenta(a)phenanthren-17-one
- Molecular formula
- C18H12O
- Molecular weight
- 244.29
Names & synonyms
72041-34-015,16-Dihydro-1,11-methanocyclopenta(a)phenanthren-17-oneY2RMJ3CZ7H2,3-Dihydrodicyclopenta(c,lmn)phenanthren-1(9H)-oneDicyclopenta(a,def)phenanthren-6(4H)-one, 7,8-dihydroDTXSID9022235515,16-DIHYDRO-1,11-METHANOCYCLOPENTA[A]PHENANTHREN-17-ONERefChem:78716DTXCID90144846CCRIS 24747,8-dihydrodicyclopenta[a,def]phenanthren-6(4h)-oneUNII-Y2RMJ3CZ7H
Show more names
Dicyclopenta[a,def]phenanthren-6(4H)-one, 7,8-dihydro- (9CI)
Database identifiers
- CAS
72041-34-0- PubChem CID
- 126355
- DTXSID
DTXSID90222355- UNII
- Y2RMJ3CZ7H
- Nikkaji
- J1.271.397E
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 414
Physicochemical properties
- Boiling point
- 347.21 °C · 347.21°C (rough estimate)
- Density
- 1.0786 · 1.0786 (rough estimate)
- refractive index
- 1.47 · 1.4700 (estimate)
- FDA UNII
- 2 RMJ3CZ7H · Y2RMJ3CZ7H
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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