Basic information
- Standard SMILES
COC(=O)C1=C(c2ccc(OC)cc2)c2ccccc2OC1c1ccc2c(c1)OCO2- InChIKey
NEVWDOJGIGFDHW-UHFFFAOYSA-N- Molecular formula
- C25H20O6
- Average molar mass
- 416.4 g/mol
Names & identifiers
- Preferred name
- methyl 2-(benzo[1,3]dioxol-5-yl)-4-(4-methoxy-phenyl)-2H-chromen-3-carboxylate
- IUPAC
- methyl 2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-2H-chromene-3-carboxylate
Names & synonyms
SCHEMBL7944100NEVWDOJGIGFDHW-UHFFFAOYSA-Nmethyl 2-(benzo[1,3]dioxol-5-yl)-4-(4-methoxy-phenyl)-2H-chromen-3-carboxylate
Database identifiers
- PubChem CID
- 11729397
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 681
Related reactions
3 records
Compound notes
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