1-(3-Hydroxyphenyl)-2-(4-methoxybenzyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
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Basic information
- CAS
880396-56-5- Standard SMILES
COc1ccc(CN2C(=O)c3oc4c(C)cc(C)cc4c(=O)c3C2c2cccc(O)c2)cc1- InChIKey
TUYHGVRWNAIGLM-UHFFFAOYSA-N- Molecular formula
- C27H23NO5
- Average molar mass
- 441.5 g/mol
Names & identifiers
- Preferred name
- 1-(3-Hydroxyphenyl)-2-(4-methoxybenzyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
- IUPAC
- 1-(3-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
- English name
- 1-(3-hydroxyphenyl)-2-(4-methoxybenzyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
- Molecular formula
- C27H23NO5
- Molecular weight
- 441.48
Names & synonyms
1-(3-hydroxyphenyl)-2-(4-methoxybenzyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione880396-56-51-(3-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dioneSTK583334AKOS002201207AKOS016155616AO-022/43271412Z1213669107[1]Benzopyrano[2,3-c]pyrrole-3,9-dione, 1,2-dihydro-1-(3-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-5,7-dimethyl-
Database identifiers
- CAS
880396-56-5
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 800
Physicochemical properties
- Boiling point
- 707 · 707.0±60.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 9.6 · 9.60±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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