Basic information
- CAS
20978-99-8- Standard SMILES
CCOc1ccc(N2C(=O)c3ccccc3OC2C)cc1- InChIKey
BGISKVRISWAIMG-UHFFFAOYSA-N- Molecular formula
- C17H17NO3
- Average molar mass
- 283.32 g/mol
- Monoisotopic mass
- 283.1208434
Names & identifiers
- Preferred name
- 4H-1,3-Benzoxazin-4-one, 3-(p-ethoxyphenyl)-2,3-dihydro-2-methyl-
- IUPAC
- 3-(4-ethoxyphenyl)-2-methyl-2H-1,3-benzoxazin-4-one
- English name
- 3-(4-Ethoxyphenyl)-2-methyl-2H-1,3-benzoxazin-4(3H)-one
- Molecular formula
- C17H17NO3
- Molecular weight
- 283.32
Names & synonyms
20978-99-84H-1,3-BENZOXAZIN-4-ONE, 3-(p-ETHOXYPHENYL)-2,3-DIHYDRO-2-METHYL-RefChem:1071792BRN 1138716DTXSID309432743-(4-Ethoxyphenyl)-2-methyl-2H-1,3-benzoxazin-4(3H)-one3-(p-Ethoxyphenyl)-2,3-dihydro-2-methyl-4H-1,3-benzoxazin-4-one3-(4-Ethoxyphenyl)-2-methyl-2,3-dihydro-4H-1,3-benzoxazin-4-one4H-1,3-Benzoxazin-4-one, 3-(4-ethoxyphenyl)-2,3-dihydro-2-methyl-
Database identifiers
- CAS
20978-99-8- PubChem CID
- 30433
- DTXSID
DTXSID30943274- Nikkaji
- J67.845G
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Melting point
- 136 °C · 136 °C
- Boiling point
- 458 · 458.0±45.0 °C(Predicted)
- Density
- 1.182 · 1.182±0.06 g/cm3(Predicted)
- pka
- 0.88 · 0.88±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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