2-(3,5-dichlorophenoxy)-1-(4-propylphenyl)ethanone

C17H16Cl2O2 — CID 60623922

IUPAC2-(3,5-dichlorophenoxy)-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)COc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H16Cl2O2/c1-2-3-12-4-6-13(7-5-12)17(20)11-21-16-9-14(18)8-15(19)10-16/h4-10H,2-3,11H2,1H3
InChIKeyYFQJKBIBHOCXKW-UHFFFAOYSA-N
MW323.22 g/mol
LogP5.21
Rot. Bonds6

About 2-(3,5-dichlorophenoxy)-1-(4-propylphenyl)ethanone

2-(3,5-dichlorophenoxy)-1-(4-propylphenyl)ethanone (PubChem CID 60623922) has the molecular formula C17H16Cl2O2 and a molecular weight of 323.22 g/mol. Its IUPAC name is 2-(3,5-dichlorophenoxy)-1-(4-propylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-dichlorophenoxy)-1-(4-propylphenyl)ethanone
PubChem CID60623922
Molecular FormulaC17H16Cl2O2
Molecular Weight323.22 g/mol
Exact Mass322.05
IUPAC Name2-(3,5-dichlorophenoxy)-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)COc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H16Cl2O2/c1-2-3-12-4-6-13(7-5-12)17(20)11-21-16-9-14(18)8-15(19)10-16/h4-10H,2-3,11H2,1H3
InChIKeyYFQJKBIBHOCXKW-UHFFFAOYSA-N
XLogP5.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.22
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenoxy)-1-(4-propylphenyl)ethanone
CID 43412300
2-(2,6-dichlorophenoxy)-1-(4-propylphenyl)ethanone
CID 60626549
2-(3,5-dichlorophenoxy)-1-(4-nitrophenyl)ethanone
CID 60623975
2-(4-nitrophenoxy)-1-(4-propylphenyl)ethanone
CID 52888465
4-[4-[2-oxo-2-(4-propylphenyl)ethoxy]phenyl]benzonitrile
CID 7670213
2-(2-chloro-6-fluorophenoxy)-1-(4-propylphenyl)ethanone
CID 83052607
N-[4-[2-(3,5-dichlorophenoxy)acetyl]phenyl]-3-methylbutanamide
CID 7467139
3-ethoxy-4-[2-oxo-2-(4-propylphenyl)ethoxy]benzonitrile
CID 112784032
2-(3-ethoxyphenoxy)-1-(4-ethylphenyl)ethanone
CID 62338272
1-(3,5-dichlorophenyl)-2-phenoxyethanone
CID 146005989
[2-oxo-2-(4-propylphenyl)ethyl] 2-(4-benzoylphenoxy)acetate
CID 7839590
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanone
CID 43413080

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenoxy)-1-(4-propylphenyl)ethanone?
The IUPAC name of 2-(3,5-dichlorophenoxy)-1-(4-propylphenyl)ethanone (CID 60623922) is 2-(3,5-dichlorophenoxy)-1-(4-propylphenyl)ethanone.
What is the SMILES notation for 2-(3,5-dichlorophenoxy)-1-(4-propylphenyl)ethanone?
The canonical SMILES for 2-(3,5-dichlorophenoxy)-1-(4-propylphenyl)ethanone is CCCc1ccc(C(=O)COc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 2-(3,5-dichlorophenoxy)-1-(4-propylphenyl)ethanone?
The InChIKey is YFQJKBIBHOCXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O2/c1-2-3-12-4-6-13(7-5-12)17(20)11-21-16-9-14(18)8-15(19)10-16/h4-10H,2-3,11H2,1H3.
What are the key properties of 2-(3,5-dichlorophenoxy)-1-(4-propylphenyl)ethanone?
2-(3,5-dichlorophenoxy)-1-(4-propylphenyl)ethanone has a molecular weight of 323.22 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenoxy)-1-(4-propylphenyl)ethanone is sourced from PubChem (CID 60623922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).