Basic information
- CAS
5394-71-8- Standard SMILES
O=C1C(=O)c2ccccc2C(O)=C1CCCc1ccc(Oc2ccccc2)cc1- InChIKey
JVLITVTWAJLEKW-UHFFFAOYSA-N- Molecular formula
- C25H20O4
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.13615911
Names & identifiers
- Preferred name
- 1,4-Naphthalenedione, 2-hydroxy-3-(3-(4-phenoxyphenyl)propyl)-
- IUPAC
- 4-hydroxy-3-[3-(4-phenoxyphenyl)propyl]naphthalene-1,2-dione
Names & synonyms
5394-71-8NSC3774-hydroxy-3-[3-(4-phenoxyphenyl)propyl]naphthalene-1,2-dione1,4-Naphthalenedione, 2-hydroxy-3-(3-(4-phenoxyphenyl)propyl)-NSC-3771,4-Naphthalenedione, 2-hydroxy-3-[3-(4-phenoxyphenyl)propyl]-2-hydroxy-3-[3-(4-phenoxyphenyl)propyl]naphthalene-1,4-dione4-Hydroxy-3-(3-(4-phenoxyphenyl)propyl)naphthalene-1,2-dioneNSC 377LE3LML3MP8NCIMech_000814CHEMBL1981885
Show more names
DTXSID20968739CCG-35874NCI60_003552PD011323DS-0084392-Hydroxy-3-[3-(4-phenoxyphenyl)propyl]-1,4-naphthalenedione2-HYDROXY-3-[3-(P-PHENOXYPHENYL)PROPYL]-1,4-NAPHTHOQUINONE
Database identifiers
- CAS
5394-71-8- PubChem CID
- 219294
- DTXSID
DTXSID20968739- ChEMBL
CHEMBL1981885- UNII
- LE3LML3MP8
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 623
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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