3-[(2,4-dichlorophenyl)methoxy]-2-methylpyran-4-one

C13H10Cl2O3 — CID 1490084

IUPAC3-[(2,4-dichlorophenyl)methoxy]-2-methylpyran-4-one
SMILESCc1occc(=O)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2O3/c1-8-13(12(16)4-5-17-8)18-7-9-2-3-10(14)6-11(9)15/h2-6H,7H2,1H3
InChIKeyUDKDZFOQBNMDIS-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.83
Rot. Bonds3

About 3-[(2,4-dichlorophenyl)methoxy]-2-methylpyran-4-one

3-[(2,4-dichlorophenyl)methoxy]-2-methylpyran-4-one (PubChem CID 1490084) has the molecular formula C13H10Cl2O3 and a molecular weight of 285.13 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methoxy]-2-methylpyran-4-one.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methoxy]-2-methylpyran-4-one
PubChem CID1490084
Molecular FormulaC13H10Cl2O3
Molecular Weight285.13 g/mol
Exact Mass284.00
IUPAC Name3-[(2,4-dichlorophenyl)methoxy]-2-methylpyran-4-one
SMILESCc1occc(=O)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2O3/c1-8-13(12(16)4-5-17-8)18-7-9-2-3-10(14)6-11(9)15/h2-6H,7H2,1H3
InChIKeyUDKDZFOQBNMDIS-UHFFFAOYSA-N
XLogP3.83
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chloro-6-fluorobenzyl)oxy]-2-methyl-4H-pyran-4-one
CID 1490067
5-(4-chlorophenyl)-2,2-dimethylfuran-3(2H)-one
CID 14492343
(2,4-Dichlorophenyl)methyl acetate
CID 225826
2,6-Bis(4-chlorophenyl)-4H-pyran-4-one
CID 257574
5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-2,2-dimethylfuran-3-one
CID 15086684
Cyto7B11
CID 2055326
5-(4-Chlorophenyl)furan-2,3-dione
CID 3675968
5-[(2-chloro-6-fluorobenzyl)oxy]-2-(hydroxymethyl)-4H-pyran-4-one
CID 1480772
3-((2,6-Dichlorobenzyl)oxy)-2-methyl-4H-pyran-4-one
CID 2767275
(3E)-5-(4-chlorophenyl)-3-[(2,4-dichlorophenyl)methylidene]furan-2-one
CID 44128210
1,3-Bis[(4-chlorophenyl)methoxy]propan-2-one
CID 90678202
2,4-Dichlorobenzyl butyl ether
CID 527840

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methoxy]-2-methylpyran-4-one?
The IUPAC name of 3-[(2,4-dichlorophenyl)methoxy]-2-methylpyran-4-one (CID 1490084) is 3-[(2,4-dichlorophenyl)methoxy]-2-methylpyran-4-one.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methoxy]-2-methylpyran-4-one?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methoxy]-2-methylpyran-4-one is Cc1occc(=O)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methoxy]-2-methylpyran-4-one?
The InChIKey is UDKDZFOQBNMDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O3/c1-8-13(12(16)4-5-17-8)18-7-9-2-3-10(14)6-11(9)15/h2-6H,7H2,1H3.
What are the key properties of 3-[(2,4-dichlorophenyl)methoxy]-2-methylpyran-4-one?
3-[(2,4-dichlorophenyl)methoxy]-2-methylpyran-4-one has a molecular weight of 285.13 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methoxy]-2-methylpyran-4-one is sourced from PubChem (CID 1490084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).