Basic information
- Standard SMILES
O=C(O)c1cccc(COc2ccc(-c3ccc4c(c3)OCO4)cc2)c1- InChIKey
CNQHGQKNNKCHTJ-UHFFFAOYSA-N- Molecular formula
- C21H16O5
- Average molar mass
- 348.3 g/mol
Names & identifiers
- Preferred name
- 3-(4-Benzo[1,3]dioxol-5-yl-phenoxymethyl)-benzoic acid
- IUPAC
- 3-[[4-(1,3-benzodioxol-5-yl)phenoxy]methyl]benzoic acid
Names & synonyms
SCHEMBL4442793CNQHGQKNNKCHTJ-UHFFFAOYSA-N3-(4-Benzo[1,3]dioxol-5-yl-phenoxymethyl)-benzoic acid
Database identifiers
- PubChem CID
- 11645963
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 473
Related reactions
1 records
Compound notes
Loading…