1-(2,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone

C13H16Cl2O3 — CID 103489285

IUPAC1-(2,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone
SMILESCCOCC(C)OCC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2O3/c1-3-17-7-9(2)18-8-13(16)11-5-4-10(14)6-12(11)15/h4-6,9H,3,7-8H2,1-2H3
InChIKeySVEYGUWMAXKKAC-UHFFFAOYSA-N
MW291.17 g/mol
LogP3.62
Rot. Bonds7

About 1-(2,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone

1-(2,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone (PubChem CID 103489285) has the molecular formula C13H16Cl2O3 and a molecular weight of 291.17 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone
PubChem CID103489285
Molecular FormulaC13H16Cl2O3
Molecular Weight291.17 g/mol
Exact Mass290.05
IUPAC Name1-(2,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone
SMILESCCOCC(C)OCC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2O3/c1-3-17-7-9(2)18-8-13(16)11-5-4-10(14)6-12(11)15/h4-6,9H,3,7-8H2,1-2H3
InChIKeySVEYGUWMAXKKAC-UHFFFAOYSA-N
XLogP3.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone
CID 103489341
[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-ethylbutanoate
CID 2378941
1-(2,4-dichlorophenyl)-2-(2-ethoxyethoxy)propan-1-one
CID 43798400
1-(2,4-dichlorophenyl)-5-ethoxypentane-1,3-dione
CID 43321488
2-(butan-2-ylamino)-1-(2,4-dichlorophenyl)ethanone
CID 82101529
1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62335593
1-(4-bromo-2-chlorophenyl)-2-ethoxyethanone
CID 115782953
1-(2,4-dichlorophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
CID 54946377
1-(2,4-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone
CID 2302578
[2-(2,4-dichlorophenyl)-2-oxoethyl] acetate
CID 59753951
1-(2-chloro-4-fluorophenyl)-2-propan-2-yloxyethanone
CID 79567975
1-(2,4-dichlorophenyl)-3-methylhexan-1-one
CID 114968710

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone (CID 103489285) is 1-(2,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone is CCOCC(C)OCC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone?
The InChIKey is SVEYGUWMAXKKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O3/c1-3-17-7-9(2)18-8-13(16)11-5-4-10(14)6-12(11)15/h4-6,9H,3,7-8H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone?
1-(2,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone has a molecular weight of 291.17 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone is sourced from PubChem (CID 103489285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).