1,4-Naphthalenedione, 2-(phenylmethyl)-

HCID 3015658
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Basic information

CAS
33440-68-5
Standard SMILES
O=C1C=C(Cc2ccccc2)C(=O)c2ccccc21
InChIKey
NRKPHAPQMRHQNY-UHFFFAOYSA-N
Molecular formula
C17H12O2
Average molar mass
248.27 g/mol
Monoisotopic mass
248.08372962

Names & identifiers

Preferred name
1,4-Naphthalenedione, 2-(phenylmethyl)-
IUPAC
2-benzylnaphthalene-1,4-dione

Names & synonyms

33440-68-51,4-Naphthalenedione, 2-(phenylmethyl)-2-benzyl-1,4-naphthoquinone2-(Phenylmethyl)-1,4-naphthalenedioneCHEMBL1220582-benzylnaphthalene-1,4-dione2-Benzyl-[1,4]naphthoquinoneSCHEMBL9588537DTXSID80187085NRKPHAPQMRHQNY-UHFFFAOYSA-NBDBM50012696DA-06749

Database identifiers

CAS
33440-68-5
PubChem CID
3015658
DTXSID
DTXSID80187085
ChEMBL
CHEMBL122058
Nikkaji
J697.695F

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
34.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
19

Related reactions

2 records
New reaction record

Compound notes

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