Basic information
- CAS
1097016-89-1- Standard SMILES
COc1cccc(CC(=O)c2cc(OC)ccc2OC)c1- InChIKey
RIKPUNNOVJJIIU-UHFFFAOYSA-N- Molecular formula
- C17H18O4
- Average molar mass
- 286.32 g/mol
- Monoisotopic mass
- 286.12050905
Names & identifiers
- Preferred name
- 1-(2,5-Dimethoxyphenyl)-2-(3-methoxyphenyl)ethanone
- IUPAC
- 1-(2,5-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanone
- English name
- 1-(2,5-diMethoxyphenyl)-2-(3-Methoxyphenyl)ethanone
- Molecular formula
- C17H18O4
- Molecular weight
- 286.32
Names & synonyms
1-(2,5-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanone1097016-89-1SCHEMBL14856225SCHEMBL31390332RIKPUNNOVJJIIU-UHFFFAOYSA-NEthanone, 1-(2,5-dimethoxyphenyl)-2-(3-methoxyphenyl)-
Database identifiers
- CAS
1097016-89-1- PubChem CID
- 43337366
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Boiling point
- 430.9 · 430.9±35.0 °C(Predicted)
- Density
- 1.128 · 1.128±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers7 total
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
德州博腾精细化工有限公司[email protected]
德州朗维医药科技有限公司13761310616 · [email protected]
无锡凯德瑞医药科技有限公司19906241957 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
Related reactions
4 records
Compound notes
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