Basic information
- Standard SMILES
CC(C)=CCCC(C)=CCOc1ccc(CC(=O)O)cc1- InChIKey
YXCHNPIJRRQZNW-UHFFFAOYSA-N- Molecular formula
- C18H24O3
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.17254462
Names & identifiers
- Preferred name
- 2-{4-[(3,7-Dimethyl-2,6-octadienyl)oxy]phenyl}acetic acid
- IUPAC
- 2-[4-(3,7-dimethylocta-2,6-dienoxy)phenyl]acetic acid
Names & synonyms
SCHEMBL5088775YXCHNPIJRRQZNW-UHFFFAOYSA-N2-{4-[(3,7-dimethyl-2,6-octadienyl)oxy]phenyl}acetic acid
Database identifiers
- PubChem CID
- 54531844
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 370
Related reactions
3 records
Compound notes
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