1-(2,4-dichlorophenyl)-2-(2-methylbutan-2-yloxy)propan-1-one

C14H18Cl2O2 — CID 43800592

IUPAC1-(2,4-dichlorophenyl)-2-(2-methylbutan-2-yloxy)propan-1-one
SMILESCCC(C)(C)OC(C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2O2/c1-5-14(3,4)18-9(2)13(17)11-7-6-10(15)8-12(11)16/h6-9H,5H2,1-4H3
InChIKeyVOARUWSHHWJKOF-UHFFFAOYSA-N
MW289.20 g/mol
LogP4.77
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-2-(2-methylbutan-2-yloxy)propan-1-one

1-(2,4-dichlorophenyl)-2-(2-methylbutan-2-yloxy)propan-1-one (PubChem CID 43800592) has the molecular formula C14H18Cl2O2 and a molecular weight of 289.20 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(2-methylbutan-2-yloxy)propan-1-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(2-methylbutan-2-yloxy)propan-1-one
PubChem CID43800592
Molecular FormulaC14H18Cl2O2
Molecular Weight289.20 g/mol
Exact Mass288.07
IUPAC Name1-(2,4-dichlorophenyl)-2-(2-methylbutan-2-yloxy)propan-1-one
SMILESCCC(C)(C)OC(C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2O2/c1-5-14(3,4)18-9(2)13(17)11-7-6-10(15)8-12(11)16/h6-9H,5H2,1-4H3
InChIKeyVOARUWSHHWJKOF-UHFFFAOYSA-N
XLogP4.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 43799481
1-(2,4-dichlorophenyl)-2-(2-ethoxyethoxy)propan-1-one
CID 43798400
2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63565663
1-(2,4-dichlorophenyl)-2-ethylsulfinylpropan-1-one
CID 64639669
3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 116918261
2,4-ditert-butyl-1,5-bis(2,4-dichlorophenyl)pentane-1,3,5-trione
CID 139770202
1-(2,4-dichlorophenyl)-2-hydroxy-3-methylbutan-1-one
CID 130517010
1-(2,4-dichlorophenyl)-2-(hydroxymethyl)butan-1-one
CID 116923109
1-(2,4-dichlorophenyl)-2-(2-fluoro-5-methylphenoxy)propan-1-one
CID 64854263
1-(2,4-dichlorophenyl)-2-[ethyl(2-methoxyethyl)amino]propan-1-one
CID 61446505
2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63567272
ethyl 2-[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]sulfanylacetate
CID 43801775

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(2-methylbutan-2-yloxy)propan-1-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(2-methylbutan-2-yloxy)propan-1-one (CID 43800592) is 1-(2,4-dichlorophenyl)-2-(2-methylbutan-2-yloxy)propan-1-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(2-methylbutan-2-yloxy)propan-1-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(2-methylbutan-2-yloxy)propan-1-one is CCC(C)(C)OC(C)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(2-methylbutan-2-yloxy)propan-1-one?
The InChIKey is VOARUWSHHWJKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O2/c1-5-14(3,4)18-9(2)13(17)11-7-6-10(15)8-12(11)16/h6-9H,5H2,1-4H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(2-methylbutan-2-yloxy)propan-1-one?
1-(2,4-dichlorophenyl)-2-(2-methylbutan-2-yloxy)propan-1-one has a molecular weight of 289.20 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(2-methylbutan-2-yloxy)propan-1-one is sourced from PubChem (CID 43800592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).