Basic information
- Standard SMILES
CC1(C)CC(C)(C)c2cc(C#Cc3ccc(C(=O)O)cc3)cc(C3CC3)c2O1- InChIKey
QELVCKRITXHFTQ-UHFFFAOYSA-N- Molecular formula
- C25H26O3
- Average molar mass
- 374.5 g/mol
Names & identifiers
- Preferred name
- 4-(8-Cyclopropyl-2,2,4,4-tetramethyl-chroman-6-yl-ethvnyl)-benzoic acid
- IUPAC
- 4-[2-(8-cyclopropyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]benzoic acid
Names & synonyms
SCHEMBL5735668QELVCKRITXHFTQ-UHFFFAOYSA-N4-(8-Cyclopropyl-2,2,4,4-tetramethyl-chroman-6-yl-ethvnyl)-benzoic acid4-(8-Cyclopropyl-2,2,4,4-tetramethyl-chroman-6-yl-ethynyl)-benzoic acid
Database identifiers
- PubChem CID
- 9969656
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 666
Related reactions
16 records
Compound notes
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