17H-Cyclopenta(a)phenanthren-17-one, 15,16-dihydro-11-methyl-
Basic information
- CAS
892-17-1- Standard SMILES
Cc1cc2c(c3ccc4ccccc4c13)CCC2=O- InChIKey
SKCVVXWCDKAJTI-UHFFFAOYSA-N- Molecular formula
- C18H14O
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.10446507
Overview
structure
Names & identifiers
- Preferred name
- 17H-Cyclopenta(a)phenanthren-17-one, 15,16-dihydro-11-methyl-
- IUPAC
- 11-methyl-15,16-dihydrocyclopenta[a]phenanthren-17-one
- English name
- 15,16-dihydro-11-methylcyclopenta(a)phenanthren-17-one
- Molecular weight
- 0
Names & synonyms
15,16-Dihydro-11-methylcyclopenta(a)phenanthren-17-one892-17-111-CH3-cpp-17-one15,16-Dihydro-11-methyl-17H-cyclopenta(a)phenanthren-17-oneDTXSID0023757111-methyl-15,16-dihydrocyclopenta[a]phenanthren-17-one17H-Cyclopenta(a)phenanthren-17-one, 15,16-dihydro-11-methyl-11-methyl-15,16-dihydrocyclopenta(a)phenanthren-17-one15,16-Dihydro-11-methyl-17H-cyclopenta[a]phenanthren-17-oneRefChem:78717DH-11-MCPPODTXCID50160062
Show more names
XF4WDU563XCCRIS 972BRN 228005811-Methyl-15,16-dihydro-17-oxocyclopenta(a)phenanthrene11-Methyl-15,16-dihydro-17H-cyclopenta(a)phenanthren-17-oneUNII-XF4WDU563XSCHEMBL334637511-Methylgona-1(10),2,4,6,8,11,13-heptaen-17-one
Database identifiers
- CAS
892-17-1- PubChem CID
- 3034752
- DTXSID
DTXSID00237571- UNII
- XF4WDU563X
- Nikkaji
- J856G
Properties
Computed structural properties
- XLogP
- 4.5
- 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
- 374
Physicochemical properties
- Boiling point
- 349.31 °C · 349.31°C (rough estimate)
- Density
- 1.0572 · 1.0572 (rough estimate)
- refractive index
- 1.47 · 1.4700 (estimate)
- FDA UNII
- 4 WDU563X · XF4WDU563X
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Related reactions
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Compound notes
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