Basic information
- CAS
81050-84-2- Standard SMILES
COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(OC)c(C)c2OC)c(C)c1O- InChIKey
WVDQDUDKODKATA-UHFFFAOYSA-N- Molecular formula
- C21H24O7
- Average molar mass
- 388.4 g/mol
- Monoisotopic mass
- 388.1522031
Names & identifiers
- Preferred name
- Methyl 4-(2,4-dimethoxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoate
- IUPAC
- methyl 4-(2,4-dimethoxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoate
Names & synonyms
methyl 4-(2,4-dimethoxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoateDTXSID60295435RefChem:355324DTXCID1024657382356-48-7AcrB-IN-581050-84-23-Hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl 2,4-dimethoxy-3,6-dimethylbenzoateNSC101978NSC-101978(3-hydroxy-4-methoxycarbonyl-2,5-dimethyl-phenyl) 2,4-dimethoxy-3,6-dimethyl-benzoateDS-007763
Show more names
HY-157533CS-0978893
Database identifiers
- CAS
81050-84-2- PubChem CID
- 265657
- DTXSID
DTXSID60295435- Nikkaji
- J1.242.724G
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 551
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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