Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCc1cc(C#Cc2ccc(CC(=O)O)cc2)ccc1C1(OCc2ccccc2)CC1- InChIKey
PGAUVHNCULESQT-UHFFFAOYSA-N- Molecular formula
- C28H26O3
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.18819469
Names & identifiers
- Preferred name
- {4-[4-(1-Benzyloxycyclopropyl)-3-ethyl-phenylethynyl]-phenyl}-acetic acid
- IUPAC
- 2-[4-[2-[3-ethyl-4-(1-phenylmethoxycyclopropyl)phenyl]ethynyl]phenyl]acetic acid
Names & synonyms
SCHEMBL5737152PGAUVHNCULESQT-UHFFFAOYSA-N{4-[4-(1-Benzyloxycyclopropyl)-3-ethyl-phenylethynyl]-phenyl }-acetic Acid{4-[4-(1-Benzyloxycyclopropyl)-3-ethyl-phenylethynyl]-phenyl} -acetic acid{4-[4-(1-Benzyloxycyclopropyl)-3-ethyl-phenylethynyl]-phenyl}-acetic acid
Database identifiers
- PubChem CID
- 10201634
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 652
Related reactions
15 records
Compound notes
Loading…