6,7-Diphenyl-3,4,4a,5,8,8a-hexahydronaphthalen-1(2H)-one

HCID 18436364

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Basic information

CAS: 821798-62-3
Standard SMILES: O=C1CCCC2CC(c3ccccc3)=C(c3ccccc3)CC12
InChIKey: BCTZBZSMFXFAGG-UHFFFAOYSA-N
Molecular formula: C22H22O
Average molar mass: 302.4 g/mol
Monoisotopic mass: 302.16706532

Names & identifiers

Preferred name: 6,7-Diphenyl-3,4,4a,5,8,8a-hexahydronaphthalen-1(2H)-one
IUPAC: 6,7-diphenyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-one

Names & synonyms

821798-62-36,7-Diphenyl-3,4,4a,5,8,8a-hexahydronaphthalen-1(2H)-oneSCHEMBL5378428DTXSID20593762BCTZBZSMFXFAGG-UHFFFAOYSA-N6,7-diphenyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-one

Database identifiers

CAS: 821798-62-3
PubChem CID: 18436364
DTXSID: DTXSID20593762

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 23
Formal charge: 0
Complexity: 462

Related reactions

1 records

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HRID 351449As productuspto-grants-2007_02

Compound notes

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