4'-Chloro-6-methylflavone
Basic information
- CAS
60402-30-4- Standard SMILES
Cc1ccc2oc(-c3ccc(Cl)cc3)cc(=O)c2c1- InChIKey
ZMRCCOUBQBXXHF-UHFFFAOYSA-N- Molecular formula
- C16H11ClO2
- Average molar mass
- 270.71 g/mol
- Monoisotopic mass
- 270.0447573
Names & identifiers
- Preferred name
- 4'-Chloro-6-methylflavone
- IUPAC
- 2-(4-chlorophenyl)-6-methylchromen-4-one
- English name
- 4'-Chloro-6-methylflavone
- Molecular formula
- C16H11ClO2
- Molecular weight
- 270.71
Names & synonyms
4'-chloro-6-methylflavone60402-30-42-(4-chlorophenyl)-6-methyl-4H-chromen-4-one2-(4-chlorophenyl)-6-methylchromen-4-one2-(4-Chlorophenyl)-6-methyl-4H-1-benzopyran-4-oneMFCD008460794//'-Chloro-6-methylflavoneTimTec1_0065244''-Chloro-6-methylflavoneAURORA KA-4460CHEMBL457251SCHEMBL4650552
Show more names
4H-1-Benzopyran-4-one, 2-(4-chlorophenyl)-6-methyl-
DTXSID20349221HMS1552I12STK888585AKOS002286072MB01522NCGC00320745-01BP-13263BS-29006
Database identifiers
- CAS
60402-30-4- PubChem CID
- 643579
- DTXSID
DTXSID20349221- ChEMBL
CHEMBL457251- Nikkaji
- J435.649G
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- Melting point
- 196.5 · 196.5-197 °C
- Boiling point
- 418.5 · 418.5±45.0 °C(Predicted)
- Density
- 1.304 · 1.304±0.06 g/cm3(Predicted)
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Compound notes
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