Basic information
- Standard SMILES
COc1cc(/C=C2/C(C)=C(CC(=O)O)c3cc(F)ccc32)cc(OC)c1OC- InChIKey
IBDWMGKPYYUXKJ-APSNUPSMSA-N- Molecular formula
- C22H21FO5
- Average molar mass
- 384.4 g/mol
Names & identifiers
- Preferred name
- (Z)-5-fluoro-2-methyl-1-(3,4,5-trimethoxybenzylidene)-3-indenylacetic acid
- IUPAC
- 2-[(3Z)-6-fluoro-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetic acid
Names & synonyms
SCHEMBL6936351IBDWMGKPYYUXKJ-APSNUPSMSA-N(Z)-5-fluoro-2-methyl-1-(3,4,5-trimethoxybenzylidene)-3-indenylaceticacid(Z)-5-fluoro-2-methyl-1-(3,4,5-trimethoxybenzylidene)-3-indenyl-acetic acid(Z)-5-fluoro-2-methyl-1-(3,4,5-trimethoxybenzylidene)-3-indenylacetic acid
Database identifiers
- PubChem CID
- 9864863
- Nikkaji
- J1.381.535F
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 629
Related reactions
8 records
Compound notes
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