Basic information
- Standard SMILES
CCC(O)(C=Cc1ccc(C(CC)(CC)c2ccc(-c3ccc(CC(=O)OC)c(F)c3)c(C)c2)cc1C)CC- InChIKey
JAJQNWPQDPCIDH-UHFFFAOYSA-N- Molecular formula
- C35H43FO3
- Average molar mass
- 530.7 g/mol
Names & identifiers
- Preferred name
- Methyl 2-[4-[4-[3-[4-(3-ethyl-3-hydroxypent-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-2-fluorophenyl]acetate
- IUPAC
- methyl 2-[4-[4-[3-[4-(3-ethyl-3-hydroxypent-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-2-fluorophenyl]acetate
Database identifiers
- PubChem CID
- 76599680
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 785
Related reactions
2 records
Compound notes
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