7-(benzyloxy)-3-(3,4-dimethoxyphenyl)-4H-chromen-4-one
Basic information
- CAS
54528-40-4- Standard SMILES
COc1ccc(-c2coc3cc(OCc4ccccc4)ccc3c2=O)cc1OC- InChIKey
TUGWZDWBCHKIQA-UHFFFAOYSA-N- Molecular formula
- C24H20O5
- Average molar mass
- 388.4 g/mol
- Monoisotopic mass
- 388.13107373
Names & identifiers
- Preferred name
- 7-(benzyloxy)-3-(3,4-dimethoxyphenyl)-4H-chromen-4-one
- IUPAC
- 3-(3,4-dimethoxyphenyl)-7-phenylmethoxychromen-4-one
Names & synonyms
54528-40-47-(benzyloxy)-3-(3,4-dimethoxyphenyl)-4H-chromen-4-oneZINC21523493-(3,4-Dimethoxyphenyl)-7-(phenylmethoxy)-4H-1-benzopyran-4-oneZINC021523493-(3,4-dimethoxyphenyl)-7-phenylmethoxychromen-4-oneSCHEMBL11558340DTXSID401174238MFCD04142086STK924707AKOS0022237277-Benzyloxy-3',4'-dimethoxyisoflavone
Show more names
XB161596ZINC000002152349ST504705437(benzyloxy)3(34dimethoxyphenyl)4Hchromen4one3(34DIMETHOXYPHENYL)7PHENYLMETHOXYCHROMEN4ONE3(34DIMETHOXYPHENYL)7(PHENYLMETHOXY)CHROMEN4ONE3-(3,4-dimethoxyphenyl)-7-(phenylmethoxy)chromen-4-oneF3385-0968
Database identifiers
- CAS
54528-40-4- PubChem CID
- 1802307
- DTXSID
DTXSID401174238
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 582
Related reactions
0 records
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Compound notes
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