Basic information
- Standard SMILES
COC(=O)CCCCCOc1cccc(CCCCCCOc2ccc(C(C)=O)c(O)c2CCCc2ccccc2)c1CCC(=O)OC- InChIKey
SMJRRAJAYSZNIZ-UHFFFAOYSA-N- Molecular formula
- C40H52O8
- Average molar mass
- 660.8 g/mol
Names & identifiers
- Preferred name
- 2-[6-[4-Acetyl-3-hydroxy-2-(3-phenylpropyl)phenoxy]hexyl]-6-[(6-methoxy-6-oxohexyl)oxy]benzenepropanoic acid methyl ester
- IUPAC
- methyl 6-[3-[6-[4-acetyl-3-hydroxy-2-(3-phenylpropyl)phenoxy]hexyl]-2-(3-methoxy-3-oxopropyl)phenoxy]hexanoate
Names & synonyms
SCHEMBL9121112SMJRRAJAYSZNIZ-UHFFFAOYSA-N2-[6-[4-acetyl-3-hydroxy-2-(3-phenylpropyl)phenoxy]hexyl]-6-[(6-methoxy-6-oxohexyl)oxy]benzenepropanoic acid methyl ester
Database identifiers
- PubChem CID
- 54313286
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 25
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 902
Related reactions
4 records
Compound notes
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