7-methoxy-2-methyl-3-(2-methylphenyl)-4H-chromen-4-one
Basic information
- CAS
315233-68-2- Standard SMILES
COc1ccc2c(=O)c(-c3ccccc3C)c(C)oc2c1- InChIKey
CRWPQBRWLKHRDN-UHFFFAOYSA-N- Molecular formula
- C18H16O3
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.10994437
Names & identifiers
- Preferred name
- 7-methoxy-2-methyl-3-(2-methylphenyl)-4H-chromen-4-one
- IUPAC
- 7-methoxy-2-methyl-3-(2-methylphenyl)chromen-4-one
- English name
- 7-methoxy-2-methyl-3-(o-tolyl)-4H-chromen-4-one
- Molecular formula
- C18H16O3
- Molecular weight
- 280.32
Names & synonyms
315233-68-27-methoxy-2-methyl-3-(2-methylphenyl)-4H-chromen-4-one7-methoxy-2-methyl-3-(2-methylphenyl)chromen-4-oneCambridge id 6649504Oprea1_106119Oprea1_487288MLS0005340837-methoxy-2-methyl-3-(o-tolyl)-4H-chromen-4-oneF0758-0056CHEMBL13045172-methyl-7-(methyloxy)-3-(2-methylphenyl)-4H-chromen-4-oneHMS2273A16
Show more names
4H-1-Benzopyran-4-one, 7-methoxy-2-methyl-3-(2-methylphenyl)-
AKOS003615782SMR000141521AF-399/14945585SR-01000443985SR-01000443985-1
Database identifiers
- CAS
315233-68-2- PubChem CID
- 746424
- ChEMBL
CHEMBL1304517- EC Number
- 126-561-2
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 440
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
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Related reactions
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Compound notes
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