1-(2,4-dichlorophenyl)-2-(2-propan-2-ylphenoxy)ethanone

C17H16Cl2O2 — CID 43413856

IUPAC1-(2,4-dichlorophenyl)-2-(2-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1ccccc1OCC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2O2/c1-11(2)13-5-3-4-6-17(13)21-10-16(20)14-8-7-12(18)9-15(14)19/h3-9,11H,10H2,1-2H3
InChIKeyADCNGQVXFPIIRX-UHFFFAOYSA-N
MW323.22 g/mol
LogP5.38
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-2-(2-propan-2-ylphenoxy)ethanone

1-(2,4-dichlorophenyl)-2-(2-propan-2-ylphenoxy)ethanone (PubChem CID 43413856) has the molecular formula C17H16Cl2O2 and a molecular weight of 323.22 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(2-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(2-propan-2-ylphenoxy)ethanone
PubChem CID43413856
Molecular FormulaC17H16Cl2O2
Molecular Weight323.22 g/mol
Exact Mass322.05
IUPAC Name1-(2,4-dichlorophenyl)-2-(2-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1ccccc1OCC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2O2/c1-11(2)13-5-3-4-6-17(13)21-10-16(20)14-8-7-12(18)9-15(14)19/h3-9,11H,10H2,1-2H3
InChIKeyADCNGQVXFPIIRX-UHFFFAOYSA-N
XLogP5.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.22
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-dichlorophenyl)-2-(2-propan-2-ylphenoxy)ethanone 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-fluorophenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413870
1-(2,4-dihydroxyphenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 724519
2-(2-butan-2-ylphenoxy)-1-(2-chlorophenyl)ethanone
CID 43413875
1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868
(2-chlorophenyl) 2-(2-propan-2-ylphenoxy)acetate
CID 19179422
1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62335593
2-(3-bromo-2-iodophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 166094938
1-(2,5-dibromothiophen-3-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43220137
1-(2,4-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone
CID 2302578
1-(5-chlorothiophen-2-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413871
2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 107659402
2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 60625746

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(2-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(2-propan-2-ylphenoxy)ethanone (CID 43413856) is 1-(2,4-dichlorophenyl)-2-(2-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(2-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(2-propan-2-ylphenoxy)ethanone is CC(C)c1ccccc1OCC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(2-propan-2-ylphenoxy)ethanone?
The InChIKey is ADCNGQVXFPIIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O2/c1-11(2)13-5-3-4-6-17(13)21-10-16(20)14-8-7-12(18)9-15(14)19/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(2-propan-2-ylphenoxy)ethanone?
1-(2,4-dichlorophenyl)-2-(2-propan-2-ylphenoxy)ethanone has a molecular weight of 323.22 g/mol, XLogP of 5.38, 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-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 43413856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).