2-(2-(3,4-Dimethoxyphenyl)acetyl)-4,5-dimethoxybenzeneacetic acid
Basic information
- CAS
26954-85-8- Standard SMILES
COc1ccc(CC(=O)c2cc(OC)c(OC)cc2CC(=O)O)cc1OC- InChIKey
MGTCSBXFQWXQDZ-UHFFFAOYSA-N- Molecular formula
- C20H22O7
- Average molar mass
- 374.4 g/mol
- Monoisotopic mass
- 374.13655304
Names & identifiers
- Preferred name
- 2-(2-(3,4-Dimethoxyphenyl)acetyl)-4,5-dimethoxybenzeneacetic acid
- IUPAC
- 2-[2-[2-(3,4-dimethoxyphenyl)acetyl]-4,5-dimethoxyphenyl]acetic acid
- English name
- AKOS AU36-M267
- Molecular formula
- C20H22O7
- Molecular weight
- 374.38
Names & synonyms
26954-85-8DTXSID50181439Acetic acid, (2-((3,4-dimethoxyphenyl)acetyl)-4,5-dimethoxyphenyl)-RefChem:1060799DTXCID101039302-(2-(3,4-Dimethoxyphenyl)acetyl)-4,5-dimethoxybenzeneacetic acid2-(2-(2-(3,4-DIMETHOXYPHENYL)ACETYL)-4,5-DIMETHOXYPHENYL)ACETIC ACID{2-[(3,4-dimethoxyphenyl)acetyl]-4,5-dimethoxyphenyl}acetic acid2-[2-[2-(3,4-dimethoxyphenyl)acetyl]-4,5-dimethoxyphenyl]acetic acid2-{2-[2-(3,4-dimethoxyphenyl)acetyl]-4,5-dimethoxyphenyl}acetic acidBenzeneacetic acid,2-[2-(3,4-dimethoxyphenyl)acetyl]-4,5-dimethoxy-2-[2-[2-(3,4-dimethoxyphenyl)acetyl]-4,5-dimethoxy-phenyl]acetic acid
Show more names
AKOS AU36-M267Benzeneacetic acid, 2-[2-(3,4-dimethoxyphenyl)acetyl]-4,5-dimethoxy-
Acetic acid, (2-((3,4-dimethoxyphenyl)acetyl)-4,5-dimethoxyphenyl)-(8CI)SMR000104139F 1213BRN 18946422-(2-(2-(3,4-Dimethoxyphenyl)acetyl)-4,5-dimethoxy-phenyl)acetic acid2-((3,4-Dimethoxyphenyl)acetyl)-4,5-dimethoxybenzeneacetic acidAcide (dimethoxy-3',4'-phenacetyl)-2-dimethoxy-4,5-phenyl acetique [French]Cambridge id 5732734
Database identifiers
- CAS
26954-85-8- PubChem CID
- 213713
- DTXSID
DTXSID50181439- ChEMBL
CHEMBL1426503- Nikkaji
- J757.709E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 495
Physicochemical properties
- Melting point
- 153 °C · 153 °C
- Boiling point
- 568.8 · 568.8±50.0 °C(Predicted)
- Density
- 1.227 · 1.227±0.06 g/cm3(Predicted)
- pka
- 4.16 · 4.16±0.10(Predicted)
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Related reactions
3 records
Compound notes
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