2-(2,5-dichlorophenoxy)-1-(4-ethylphenyl)ethanone

C16H14Cl2O2 — CID 60623167

IUPAC2-(2,5-dichlorophenoxy)-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)COc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H14Cl2O2/c1-2-11-3-5-12(6-4-11)15(19)10-20-16-9-13(17)7-8-14(16)18/h3-9H,2,10H2,1H3
InChIKeyIMIWGGXZOWWCKQ-UHFFFAOYSA-N
MW309.19 g/mol
LogP4.82
Rot. Bonds5

About 2-(2,5-dichlorophenoxy)-1-(4-ethylphenyl)ethanone

2-(2,5-dichlorophenoxy)-1-(4-ethylphenyl)ethanone (PubChem CID 60623167) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-1-(4-ethylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-1-(4-ethylphenyl)ethanone
PubChem CID60623167
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name2-(2,5-dichlorophenoxy)-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)COc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H14Cl2O2/c1-2-11-3-5-12(6-4-11)15(19)10-20-16-9-13(17)7-8-14(16)18/h3-9H,2,10H2,1H3
InChIKeyIMIWGGXZOWWCKQ-UHFFFAOYSA-N
XLogP4.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]acetamide
CID 51139075
1-(4-chlorophenyl)-2-(2-ethylphenoxy)ethanone
CID 43412426
2-(2,5-dichlorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone
CID 64635380
1-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]pyrrolidin-2-one
CID 8750865
2-(2,6-dimethylphenoxy)-1-(4-ethylphenyl)ethanone
CID 43799719
2-(2,5-dichlorophenoxy)-1-(2-fluorophenyl)ethanone
CID 60623205
propyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate
CID 7185050
ethyl 4-(2,5-dichlorophenoxy)-3-oxobutanoate
CID 60644149
1-(4-ethylphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone
CID 107659479
3-(2,5-dichlorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 62028936
2-(2,5-dichlorophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
CID 63565665
N-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 724281

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-1-(4-ethylphenyl)ethanone?
The IUPAC name of 2-(2,5-dichlorophenoxy)-1-(4-ethylphenyl)ethanone (CID 60623167) is 2-(2,5-dichlorophenoxy)-1-(4-ethylphenyl)ethanone.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-1-(4-ethylphenyl)ethanone?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-1-(4-ethylphenyl)ethanone is CCc1ccc(C(=O)COc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-1-(4-ethylphenyl)ethanone?
The InChIKey is IMIWGGXZOWWCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c1-2-11-3-5-12(6-4-11)15(19)10-20-16-9-13(17)7-8-14(16)18/h3-9H,2,10H2,1H3.
What are the key properties of 2-(2,5-dichlorophenoxy)-1-(4-ethylphenyl)ethanone?
2-(2,5-dichlorophenoxy)-1-(4-ethylphenyl)ethanone has a molecular weight of 309.19 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-1-(4-ethylphenyl)ethanone is sourced from PubChem (CID 60623167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).