3-Phenyl-3,4-dihydro-1(2h)-naphthalenone

HCID 576556

Notes Reactions

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Basic information

Standard SMILES: O=C1CC(c2ccccc2)Cc2ccccc21
InChIKey: HNDSZALVIVDDGH-UHFFFAOYSA-N
Molecular formula: C16H14O
Average molar mass: 222.28 g/mol

Names & identifiers

Preferred name: 3-Phenyl-3,4-dihydro-1(2h)-naphthalenone
IUPAC: 3-phenyl-3,4-dihydro-2H-naphthalen-1-one

Names & synonyms

14944-26-43-phenyl-3,4-dihydro-1(2h)-naphthalenone3-phenyl-3,4-dihydro-2H-naphthalen-1-one3,4-DIHYDRO-3-PHENYL-1(2H)-NAPHTHALENONESCHEMBL61241001(2H)-Naphthalenone, 3,4-dihydro-3-phenyl-H59880AN-651/43112668

Database identifiers

PubChem CID: 576556
Nikkaji: J424.513J

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 277

Related reactions

2 records

New reaction record

HRID 138939As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1935758As reactantuspto-grants-2002_05

Compound notes

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