[3-(2-Chlorophenoxy)-4-oxochromen-7-yl] 3-naphthalen-1-ylprop-2-enoate
Basic information
- CAS
6874-96-0- Standard SMILES
O=C(C=Cc1cccc2ccccc12)Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1- InChIKey
OAWPOEWMRKZELZ-UHFFFAOYSA-N- Molecular formula
- C28H17ClO5
- Average molar mass
- 468.9 g/mol
- Monoisotopic mass
- 468.0764513
Names & identifiers
- Preferred name
- [3-(2-Chlorophenoxy)-4-oxochromen-7-yl] 3-naphthalen-1-ylprop-2-enoate
- IUPAC
- [3-(2-chlorophenoxy)-4-oxochromen-7-yl] 3-naphthalen-1-ylprop-2-enoate
Names & synonyms
6874-96-0AC1NQSEQDTXSID804115743-(2-Chlorophenoxy)-4-oxo-4H-1-benzopyran-7-yl 3-(naphthalen-1-yl)prop-2-enoate
Database identifiers
- CAS
6874-96-0- PubChem CID
- 5227955
- DTXSID
DTXSID80411574
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 807
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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