Basic information
- Standard SMILES
CC1(C)CC(C)(C)c2cc(C#Cc3ccc(CC(=O)O)cc3)cc(C3CC3)c2O1- InChIKey
FKURZNWAFOUMKK-UHFFFAOYSA-N- Molecular formula
- C26H28O3
- Average molar mass
- 388.5 g/mol
Names & identifiers
- Preferred name
- [4-(8-Cyclopropyl-2,2,4,4-tetramethyl-chroman-6-yl-ethynyl)phenyl]acetic acid
- IUPAC
- 2-[4-[2-(8-cyclopropyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]phenyl]acetic acid
Names & synonyms
SCHEMBL5736403FKURZNWAFOUMKK-UHFFFAOYSA-N[4-(8 -Cyclopropyl-2,2,4,4-tetramethyl-chroman-6-yl-ethynyl) phenyl]acetic acid[4-(8-Cyclopropyl-2,2,4,4-tetramethyl-chroman-6-yl-ethynyl) phenyl] acetic acid[4-(8-Cyclopropyl-2,2,4,4-tetramethyl-chroman-6-yl-ethynyl) phenyl]acetic Acid[4-(8-Cyclopropyl-2,2,4,4-tetramethyl-chroman-6-yl-ethynyl)phenyl] acetic acid[4-(8-Cyclopropyl-2,2,4,4-tetramethyl-chroman-6-yl-ethynyl)phenyl]acetic acid
Database identifiers
- PubChem CID
- 10134883
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 681
Related reactions
16 records
Compound notes
Loading…