Basic information
- Standard SMILES
COC(=O)c1cc2ccc(OCCc3ccccc3)cc2oc1=O- InChIKey
PTOOFHMLSHXKID-UHFFFAOYSA-N- Molecular formula
- C19H16O5
- Average molar mass
- 324.3 g/mol
- Monoisotopic mass
- 324.09977361
Names & identifiers
- Preferred name
- 7-(2-phenyl)ethoxyl-2-oxo-2H-1-benzopyran-3-carboxylic acid methyl ester
- IUPAC
- methyl 2-oxo-7-(2-phenylethoxy)chromene-3-carboxylate
Names & synonyms
SCHEMBL5109572PTOOFHMLSHXKID-UHFFFAOYSA-N7-(2-phenyl)ethoxyl-2-oxo-2H-1-benzopyran-3-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 10087609
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 492
Related reactions
2 records
Compound notes
Loading…