1-(3,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone

C13H16Cl2O3 — CID 103489341

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

About 1-(3,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone

1-(3,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone (PubChem CID 103489341) has the molecular formula C13H16Cl2O3 and a molecular weight of 291.17 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone
PubChem CID103489341
Molecular FormulaC13H16Cl2O3
Molecular Weight291.17 g/mol
Exact Mass290.05
IUPAC Name1-(3,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone
SMILESCCOCC(C)OCC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2O3/c1-3-17-7-9(2)18-8-13(16)10-4-5-11(14)12(15)6-10/h4-6,9H,3,7-8H2,1-2H3
InChIKeyCWDIEMRZNVIRGW-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-octan-2-yloxyethanone
CID 43800020
1-(2,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone
CID 103489285
4-[2-(1-ethoxypropan-2-yloxy)acetyl]benzonitrile
CID 103489296
1-(3,4-dichlorophenyl)-2,2-diethoxyethanone
CID 79495539
1-(3-bromo-4-chlorophenyl)-2-ethoxyethanone
CID 115565944
2-butan-2-yloxy-1-(4-chlorophenyl)ethanone
CID 60902738
ethyl 3-(3,4-dichlorophenyl)-3-oxopropanoate
CID 2758176
1-(3,4-dichlorophenyl)-4-methylhexan-1-one
CID 166727807
2-methylpropyl 3,4-dichlorobenzoate
CID 82186391
1-(3,4-dichlorophenyl)-2-phenylmethoxyethanone
CID 55031191
2-butan-2-yloxy-1-(3,4-difluorophenyl)ethanone
CID 60904694
1-(3,4-dichlorophenyl)-2-(3,5-dimethylphenoxy)ethanone
CID 43412378

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone (CID 103489341) is 1-(3,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone is CCOCC(C)OCC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone?
The InChIKey is CWDIEMRZNVIRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O3/c1-3-17-7-9(2)18-8-13(16)10-4-5-11(14)12(15)6-10/h4-6,9H,3,7-8H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone?
1-(3,4-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-(3,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone is sourced from PubChem (CID 103489341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).