Basic information
- CAS
56282-16-7- Standard SMILES
CC1(c2cccc3ccccc23)OC(=O)c2ccccc21- InChIKey
YACSHPRFFGCFKV-UHFFFAOYSA-N- Molecular formula
- C19H14O2
- Average molar mass
- 274.3 g/mol
- Monoisotopic mass
- 274.09937969
Names & identifiers
- Preferred name
- 3-Methyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one
- IUPAC
- 3-methyl-3-naphthalen-1-yl-2-benzofuran-1-one
- English name
- 1,3-DIBENZYLDIHYDRO-1H-FURO[3,4-D]-IMIDAZOLE-2,4-(3H, 3AH)DIONE
- Molecular formula
- C19H18N2O3
- Molecular weight
- 322.36
Names & synonyms
3-Methyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one3-Methyl-3-(naphthalen-1-yl)isobenzofuran-1(3H)-oneNSC9770356282-16-778772-71-1MLS0027034143-methyl-3-(naphthalen-1-yl)-1,3-dihydro-2-benzofuran-1-one3-Methyl-3-(2-naphthalenyl)-1(3H)-isobenzofuranone;NSC 97703NCIOpen2_006689CHEMBL1897975SCHEMBL15413549
Show more names
1,3-DIBENZYLDIHYDRO-1H-FURO[3,4-D]-IMIDAZOLE-2,4-(3H, 3AH)DIONEcis-Tetrahydro-1,3-bis(phenylMethyl)-1H-furo[3,4-d]iMidazole-2,4-dione1H-Furo[3,4-d]imidazole-2,4-dione, tetrahydro-1,3-bis(phenylmethyl)-, (3aR,6aS)-rel-
SCHEMBL31616911DTXSID80972135NSC-97703NCI60_042178PD011424SMR001570133DB-2411113-methyl-3-(1-naphthyl)isobenzofuran-1-one
Database identifiers
- CAS
56282-16-7、56688-82-5- PubChem CID
- 263305
- DTXSID
DTXSID80972135
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 418
Physicochemical properties
- Boiling point
- 577.496 · 577.496±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.312 · 1.312±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- solubility
- Chloroform, DMF, DMSO
- form
- Solid
- pka
- -1.331 · -1.331±0.20(predicted)
- color
- White
- CAS DataBase Reference
- 56688 · 56688-82-5
Chemistry & industry
Applications
UsesIntermediate in the preparation of Biotin derivatives
Suppliers5 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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