3-[4-(2-butoxy-3,5-diisopropyl-phenyl)-1H-indol-2-yl]-but-2-enoic acid
Basic information
- Standard SMILES
CCCCOc1c(-c2cccc3[nH]c(C(C)=CC(=O)O)cc23)cc(C(C)C)cc1C(C)C- InChIKey
YJGWWHHHKOOYNJ-UHFFFAOYSA-N- Molecular formula
- C28H35NO3
- Average molar mass
- 433.6 g/mol
Names & identifiers
- Preferred name
- 3-[4-(2-butoxy-3,5-diisopropyl-phenyl)-1H-indol-2-yl]-but-2-enoic acid
- IUPAC
- 3-[4-[2-butoxy-3,5-di(propan-2-yl)phenyl]-1H-indol-2-yl]but-2-enoic acid
Names & synonyms
SCHEMBL1080327YJGWWHHHKOOYNJ-UHFFFAOYSA-N3-[4-(2-butoxy-3,5-diisopropyl-phenyl)-1H-indol-2-yl]-but-2-enoic acid
Database identifiers
- PubChem CID
- 66899321
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 643
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…