Basic information
- Standard SMILES
CCOC(=O)/C=C/c1ccc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)c(Cl)c1- InChIKey
BADXJPVWWLFHNF-UKTHLTGXSA-N- Molecular formula
- C34H35ClO3
- Average molar mass
- 527.1 g/mol
- Monoisotopic mass
- 526.2274727
Names & identifiers
- Preferred name
- ethyl (E)-4-[3-(1-adamantyl)-4-benzyloxyphenyl]-3-chlorocinnamate
- IUPAC
- ethyl (E)-3-[4-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-3-chlorophenyl]prop-2-enoate
Names & synonyms
SCHEMBL2392575BADXJPVWWLFHNF-UKTHLTGXSA-Nethyl (E)-4-[3-(1-adamantyl)-4-benzyloxyphenyl]-3-chlorocinnamateethyl (E)-4-[3-(1-adamantyl)-4-benzyloxyphenyl]-3-chloro-cinnamate
Database identifiers
- PubChem CID
- 67390349
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 790
Related reactions
2 records
Compound notes
Loading…