Basic information
- CAS
13179-06-1- Standard SMILES
Cc1ccc(OC(C)C)c(-c2oc3ccc(Cl)cc3c(=O)c2Cl)c1- InChIKey
BJDBZPOQIKOABZ-UHFFFAOYSA-N- Molecular formula
- C19H16Cl2O3
- Average molar mass
- 363.2 g/mol
- Monoisotopic mass
- 362.0476498
Names & identifiers
- Preferred name
- 3,6-Dichloro-2-(5-methyl-2-propan-2-yloxyphenyl)chromen-4-one
- IUPAC
- 3,6-dichloro-2-(5-methyl-2-propan-2-yloxyphenyl)chromen-4-one
Names & synonyms
13179-06-13,6-dichloro-2-[5-methyl-2-(propan-2-yloxy)phenyl]-4h-chromen-4-one3,6-Dichloro-2-(2-isopropoxy-5-methylphenyl)-4H-chromen-4-one3,6-dichloro-2-(5-methyl-2-propan-2-yloxyphenyl)chromen-4-oneNSC97706DTXSID60294721NSC-977063,6-Dichloro-2-{5-methyl-2-[(propan-2-yl)oxy]phenyl}-4H-1-benzopyran-4-one
Database identifiers
- CAS
13179-06-1- PubChem CID
- 263308
- DTXSID
DTXSID60294721
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 517
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…