Basic information
- CAS
27945-43-3- Standard SMILES
Cc1cc(-n2c(C)nc3ccccc3c2=O)cc(C)c1O- InChIKey
JENZANUHKHDPCZ-UHFFFAOYSA-N- Molecular formula
- C17H16N2O2
- Average molar mass
- 280.32 g/mol
- Monoisotopic mass
- 280.12117776
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(3,5-dimethyl-4-hydroxyphenyl)-2-methyl-
- IUPAC
- 3-(4-hydroxy-3,5-dimethylphenyl)-2-methylquinazolin-4-one
- English name
- 3-(4-Hydroxy-3,5-dimethylphenyl)-2-methylquinazolin-4(3H)-one
- Molecular formula
- C17H16N2O2
- Molecular weight
- 280.32
Names & synonyms
27945-43-3SRC-226BRN 08093914(3H)-Quinazolinone, 3-(3,5-dimethyl-4-hydroxyphenyl)-2-methyl-4(3H)-Quinazolinone, 3-(4-hydroxy-3,5-xylyl)-2-methyl-3-(3,5-Dimethyl-4-hydroxyphenyl)-2-methyl-4(3H)-quinazolinoneDTXSID001822192-Methyl-3-(3,5-dimethyl-4-hydroxyphenyl)-3,4-dihydroquinazolin-4-oneRefChem:284023DTXCID601047103-(4-hydroxy-3,5-dimethylphenyl)-2-methylquinazolin-4(3H)-one3-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-3,4-dihydroquinazolin-4-one
Show more names
4(3H)-Quinazolinone, 3-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-
Database identifiers
- CAS
27945-43-3- PubChem CID
- 64026
- DTXSID
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 436
Physicochemical properties
- Boiling point
- 423.04 °C · 423.04°C (rough estimate)
- Density
- 1.0999 · 1.0999 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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