4b,10b,11,12-Tetrahydro-6(5H)-chrysenone

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Basic information

CAS: 4912-55-4
Standard SMILES: O=C1CC2c3ccccc3CCC2c2ccccc21
InChIKey: IMCFKEKBLFADHG-UHFFFAOYSA-N
Molecular formula: C18H16O
Average molar mass: 248.3 g/mol
Monoisotopic mass: 248.12011513

Names & identifiers

Preferred name: 4b,10b,11,12-Tetrahydro-6(5H)-chrysenone
IUPAC: 5,10b,11,12-tetrahydro-4bH-chrysen-6-one

Names & synonyms

4b,10b,11,12-Tetrahydro-6(5H)-chrysenoneNSC4076137496-05-1NSC 4076135,10b,11,12-tetrahydro-4bH-chrysen-6-oneCHEMBL1993947DTXSID50964163NSC-407613NCI60_0038884b,10b,11,12-Tetrahydrochrysen-6(5H)-one

Database identifiers

CAS: 4912-55-4、7496-05-1
PubChem CID: 348345
DTXSID: DTXSID50964163
ChEMBL: CHEMBL1993947

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 19
Formal charge: 0
Complexity: 361

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Compound notes

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