Basic information
- CAS
3555-85-9- Standard SMILES
COc1ccc(C(=O)c2ccc(OC)cc2OC)c(OC)c1- InChIKey
QGPPRNDMALFDHJ-UHFFFAOYSA-N- Molecular formula
- C17H18O5
- Average molar mass
- 302.32 g/mol
- Monoisotopic mass
- 302.11542368
Names & identifiers
- Preferred name
- Bis(2,4-dimethoxyphenyl)methanone
- IUPAC
- bis(2,4-dimethoxyphenyl)methanone
- English name
- 2 2' 4 4'-Tetramethoxybenzophenone 97
- Molecular formula
- C17H18O5
- Molecular weight
- 302.32
Names & synonyms
bis(2,4-dimethoxyphenyl)methanone3555-85-92,2',4,4'-TetramethoxybenzophenoneCBMicro_021652Oprea1_419629Oprea1_754627di2,4-dimethoxyphenyl ketoneSCHEMBL285924SCHEMBL31575666DTXSID60355684QGPPRNDMALFDHJ-UHFFFAOYSA-NHMS1678O10
Show more names
Methanone,bis(2,4-dimethoxyphenyl)-2 2' 4 4'-Tetramethoxybenzophenone 97
CCG-8955AKOS000513777BIM-0021525.P001ST50227466SR-01000315301SR-01000315301-1
Database identifiers
- CAS
3555-85-9- PubChem CID
- 815404
- DTXSID
DTXSID60355684- Nikkaji
- J1.596.077I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Melting point
- 138 · 138-142 °C(lit.)
- Boiling point
- 476.4 · 476.4±45.0 °C(Predicted)
- Density
- 1.147 · 1.147±0.06 g/cm3(Predicted)
- WGK Germany
- 3 · 3
Safety & regulation
Safety data
- wgk
- 3
Chemistry & industry
Suppliers3 total
上海敏寒医药科技有限公司17612188245 · [email protected]
泰州同新生物医药科技有限公司0523-86818997 18652728585 · [email protected]
上海傲坤化工化学科技有限公司13482267656 · [email protected]
Related reactions
1 records
Compound notes
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