3-(4-Methoxyphenyl)-2H-chromen-2-one
Basic information
- CAS
23000-33-1- Standard SMILES
COc1ccc(-c2cc3ccccc3oc2=O)cc1- InChIKey
LDECIIDIVZISJV-UHFFFAOYSA-N- Molecular formula
- C16H12O3
- Average molar mass
- 252.26 g/mol
- Monoisotopic mass
- 252.07864424
Names & identifiers
- Preferred name
- 3-(4-Methoxyphenyl)-2H-chromen-2-one
- IUPAC
- 3-(4-methoxyphenyl)chromen-2-one
- English name
- 3-(4-Methoxyphenyl)-2H-chromen-2-one
- Molecular formula
- C16H12O3
- Molecular weight
- 252.26
Names & synonyms
3-(4-Methoxyphenyl)-2H-chromen-2-one23000-33-13-(4-methoxyphenyl)chromen-2-one3-(4'-methoxyphenyl)coumarin2H-1-Benzopyran-2-one,3-(4-methoxyphenyl)-2H-1-Benzopyran-2-one, 3-(4-methoxyphenyl)-3(4'-Methoxyphenyl)coumarin3-(4-Methoxyphenyl)-2H-1-benzopyran-2-one(4'-methoxyphenyl) coumarinOprea1_203204MLS001178661SCHEMBL6691200
Show more names
CHEMBL1714497DTXSID80351002LDECIIDIVZISJV-UHFFFAOYSA-NHMS2789I23STL510821AKOS004117732CCG-305764SMR000475970
Database identifiers
- CAS
23000-33-1- PubChem CID
- 688964
- DTXSID
DTXSID80351002- ChEMBL
CHEMBL1714497- Nikkaji
- J937.331D
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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