2-(3,4-Dimethoxyphenyl)ethyl acetate
Basic information
- CAS
14617-41-5- Standard SMILES
COc1ccc(CCOC(C)=O)cc1OC- InChIKey
LBERRQIUXJLZNB-UHFFFAOYSA-N- Molecular formula
- C12H16O4
- Average molar mass
- 224.25 g/mol
- Monoisotopic mass
- 224.10485899
Names & identifiers
- Preferred name
- 2-(3,4-Dimethoxyphenyl)ethyl acetate
- IUPAC
- 2-(3,4-dimethoxyphenyl)ethyl acetate
Names & synonyms
14617-41-52-(3,4-Dimethoxyphenyl)ethyl acetateDTXSID20307386RefChem:251236DTXCID902585133,4-Dimethoxyphenethyl acetateMFCD12964351NSC1909513,4-DimethoxyphenethylacetateSCHEMBL27806086LBERRQIUXJLZNB-UHFFFAOYSA-NNSC-190951
Show more names
Benzeneethanol,-3,4-dimethoxy, acetate2-(3,4-Dimethoxyphenyl)ethyl acetate #acetic acid 2-(3,4-dimethoxyphenyl)-ethyl esterF394962
Database identifiers
- CAS
14617-41-5- PubChem CID
- 303076
- DTXSID
DTXSID20307386- Nikkaji
- J607.776E
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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