3-(4-Ethoxyphenyl)-7-(nonyloxy)-2H-1-benzopyran-2-one
Basic information
- CAS
98458-44-7- Standard SMILES
CCCCCCCCCOc1ccc2cc(-c3ccc(OCC)cc3)c(=O)oc2c1- InChIKey
AEKQKYNABLEVBB-UHFFFAOYSA-N- Molecular formula
- C26H32O4
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.2300595
Names & identifiers
- Preferred name
- 3-(4-Ethoxyphenyl)-7-(nonyloxy)-2H-1-benzopyran-2-one
- IUPAC
- 3-(4-ethoxyphenyl)-7-nonoxychromen-2-one
Names & synonyms
98458-44-7DTXSID407605303-(4-Ethoxyphenyl)-7-(nonyloxy)-2H-1-benzopyran-2-oneRefChem:274567DTXCID307112733-(p-ethoxyphenyl)-7-nonyloxycoumarin
Database identifiers
- CAS
98458-44-7- PubChem CID
- 71332017
- DTXSID
DTXSID40760530
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 535
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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