2-Methyl-3-(2-oxo-2-phenylethyl)naphthoquinone
Basic information
- CAS
88007-98-1- Standard SMILES
CC1=C(CC(=O)c2ccccc2)C(=O)c2ccccc2C1=O- InChIKey
QKJWXHMJMZXPLX-UHFFFAOYSA-N- Molecular formula
- C19H14O3
- Average molar mass
- 290.3 g/mol
- Monoisotopic mass
- 290.0942943
Names & identifiers
- Preferred name
- 2-Methyl-3-(2-oxo-2-phenylethyl)naphthoquinone
- IUPAC
- 2-methyl-3-phenacylnaphthalene-1,4-dione
Names & synonyms
88007-98-12-methyl-3-(2-oxo-2-phenylethyl)naphthoquinoneDTXSID80363029RefChem:263226DTXCID803140762-methyl-3-phenacylnaphthalene-1,4-dioneMLS0005433132-methyl-3-(2-oxo-2-phenylethyl)-1,4-dihydronaphthalene-1,4-dioneMFCD00140543SMR0001692822-METHYL-3-(2-OXO-2-PHENYLETHYL)NAPHTHALENE-1,4-DIONE2-methyl-3-phenacyl-naphthalene-1,4-dione
Show more names
Bionet2_000274Oprea1_214189GNF-Pf-2954CHEMBL582722BDBM70644cid_14733581,4-Naphthalenedione, 2-methyl-3-(2-oxo-2-phenylethyl)-HMS1364M10
Database identifiers
- CAS
88007-98-1- PubChem CID
- 1473358
- DTXSID
DTXSID80363029- ChEMBL
CHEMBL582722
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 523
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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