1-(2,4-dichlorophenyl)-2-(2-ethoxyethoxy)propan-1-one

C13H16Cl2O3 — CID 43798400

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

About 1-(2,4-dichlorophenyl)-2-(2-ethoxyethoxy)propan-1-one

1-(2,4-dichlorophenyl)-2-(2-ethoxyethoxy)propan-1-one (PubChem CID 43798400) has the molecular formula C13H16Cl2O3 and a molecular weight of 291.17 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(2-ethoxyethoxy)propan-1-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(2-ethoxyethoxy)propan-1-one
PubChem CID43798400
Molecular FormulaC13H16Cl2O3
Molecular Weight291.17 g/mol
Exact Mass290.05
IUPAC Name1-(2,4-dichlorophenyl)-2-(2-ethoxyethoxy)propan-1-one
SMILESCCOCCOC(C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2O3/c1-3-17-6-7-18-9(2)13(16)11-5-4-10(14)8-12(11)15/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyFYDOQJDRIAFBHJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2,4-dichlorophenyl)-2-(2-ethoxyethoxy)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dichlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propan-1-one
CID 63696693
1-(2,4-dichlorophenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 43799481
1-(2,4-dichlorophenyl)-2-(2-methylbutan-2-yloxy)propan-1-one
CID 43800592
1-(2,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone
CID 103489285
2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63565663
1-(2,4-dichlorophenyl)-5-ethoxypentane-1,3-dione
CID 43321488
1-(2,4-dichlorophenyl)-2-(hydroxymethyl)butan-1-one
CID 116923109
1-(2,4-dichlorophenyl)-2-ethylsulfinylpropan-1-one
CID 64639669
3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 116918261
1-(2,4-dichlorophenyl)-2-[ethyl(2-methoxyethyl)amino]propan-1-one
CID 61446505
N-(2-amino-4,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide
CID 43107186
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-ethoxyethoxy)propan-1-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(2-ethoxyethoxy)propan-1-one (CID 43798400) is 1-(2,4-dichlorophenyl)-2-(2-ethoxyethoxy)propan-1-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(2-ethoxyethoxy)propan-1-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(2-ethoxyethoxy)propan-1-one is CCOCCOC(C)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(2-ethoxyethoxy)propan-1-one?
The InChIKey is FYDOQJDRIAFBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O3/c1-3-17-6-7-18-9(2)13(16)11-5-4-10(14)8-12(11)15/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(2-ethoxyethoxy)propan-1-one?
1-(2,4-dichlorophenyl)-2-(2-ethoxyethoxy)propan-1-one 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-(2-ethoxyethoxy)propan-1-one is sourced from PubChem (CID 43798400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).