Basic information
- Standard SMILES
CCC(CC)(c1ccc(C=CC2(O)CCCC2)c(C)c1)c1ccc(-c2ccc(CC(=O)OC)cc2)c(C)c1- InChIKey
IVZKPHYMPJFGDK-UHFFFAOYSA-N- Molecular formula
- C35H42O3
- Average molar mass
- 510.7 g/mol
- Monoisotopic mass
- 510.3133952
Names & identifiers
- Preferred name
- Methyl 2-[4-[4-[3-[4-[2-(1-hydroxycyclopentyl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]phenyl]acetate
- IUPAC
- methyl 2-[4-[4-[3-[4-[2-(1-hydroxycyclopentyl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]phenyl]acetate
Names & synonyms
SCHEMBL1525084
Database identifiers
- PubChem CID
- 67065052
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 768
Related reactions
2 records
Compound notes
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