2-(2,6-dichlorophenoxy)-1-(4-propylphenyl)ethanone

C17H16Cl2O2 — CID 60626549

IUPAC2-(2,6-dichlorophenoxy)-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)COc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H16Cl2O2/c1-2-4-12-7-9-13(10-8-12)16(20)11-21-17-14(18)5-3-6-15(17)19/h3,5-10H,2,4,11H2,1H3
InChIKeyNPPZURNLOKYZMZ-UHFFFAOYSA-N
MW323.22 g/mol
LogP5.21
Rot. Bonds6

About 2-(2,6-dichlorophenoxy)-1-(4-propylphenyl)ethanone

2-(2,6-dichlorophenoxy)-1-(4-propylphenyl)ethanone (PubChem CID 60626549) has the molecular formula C17H16Cl2O2 and a molecular weight of 323.22 g/mol. Its IUPAC name is 2-(2,6-dichlorophenoxy)-1-(4-propylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,6-dichlorophenoxy)-1-(4-propylphenyl)ethanone
PubChem CID60626549
Molecular FormulaC17H16Cl2O2
Molecular Weight323.22 g/mol
Exact Mass322.05
IUPAC Name2-(2,6-dichlorophenoxy)-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)COc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H16Cl2O2/c1-2-4-12-7-9-13(10-8-12)16(20)11-21-17-14(18)5-3-6-15(17)19/h3,5-10H,2,4,11H2,1H3
InChIKeyNPPZURNLOKYZMZ-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-(2-chloro-6-fluorophenoxy)-1-(4-propylphenyl)ethanone
CID 83052607
2-(3,5-dichlorophenoxy)-1-(4-propylphenyl)ethanone
CID 60623922
2-(2,6-dimethylphenoxy)-1-(4-ethylphenyl)ethanone
CID 43799719
2-(2-chloro-6-fluorophenoxy)-1-phenylethanone
CID 83051091
2-(2,6-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 63567111
2-(3,4-dimethylphenoxy)-1-(4-propylphenyl)ethanone
CID 43412300
formaldehyde;1-(4-propylphenyl)butan-1-one
CID 143969560
2-(4-nitrophenoxy)-1-(4-propylphenyl)ethanone
CID 52888465
4-[4-[2-oxo-2-(4-propylphenyl)ethoxy]phenyl]benzonitrile
CID 7670213
2-(2,6-dichlorophenoxy)-N,N-dimethylacetamide
CID 78765476
3-ethoxy-4-[2-oxo-2-(4-propylphenyl)ethoxy]benzonitrile
CID 112784032
2-(2-chloro-6-fluorophenoxy)-1-(4-nitrophenyl)ethanone
CID 83052615

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenoxy)-1-(4-propylphenyl)ethanone?
The IUPAC name of 2-(2,6-dichlorophenoxy)-1-(4-propylphenyl)ethanone (CID 60626549) is 2-(2,6-dichlorophenoxy)-1-(4-propylphenyl)ethanone.
What is the SMILES notation for 2-(2,6-dichlorophenoxy)-1-(4-propylphenyl)ethanone?
The canonical SMILES for 2-(2,6-dichlorophenoxy)-1-(4-propylphenyl)ethanone is CCCc1ccc(C(=O)COc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 2-(2,6-dichlorophenoxy)-1-(4-propylphenyl)ethanone?
The InChIKey is NPPZURNLOKYZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O2/c1-2-4-12-7-9-13(10-8-12)16(20)11-21-17-14(18)5-3-6-15(17)19/h3,5-10H,2,4,11H2,1H3.
What are the key properties of 2-(2,6-dichlorophenoxy)-1-(4-propylphenyl)ethanone?
2-(2,6-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-(2,6-dichlorophenoxy)-1-(4-propylphenyl)ethanone is sourced from PubChem (CID 60626549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).