1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one

C15H12Cl2O2 — CID 112677568

IUPAC1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2O2/c1-2-13(18)11-5-3-4-6-14(11)19-15-8-7-10(16)9-12(15)17/h3-9H,2H2,1H3
InChIKeyZHPUZHKPZLAODJ-UHFFFAOYSA-N
MW295.17 g/mol
LogP5.38
Rot. Bonds4

About 1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one

1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one (PubChem CID 112677568) has the molecular formula C15H12Cl2O2 and a molecular weight of 295.17 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one
PubChem CID112677568
Molecular FormulaC15H12Cl2O2
Molecular Weight295.17 g/mol
Exact Mass294.02
IUPAC Name1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2O2/c1-2-13(18)11-5-3-4-6-14(11)19-15-8-7-10(16)9-12(15)17/h3-9H,2H2,1H3
InChIKeyZHPUZHKPZLAODJ-UHFFFAOYSA-N
XLogP5.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.17
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-chloro-4-fluorophenoxy)phenyl]propan-1-one
CID 112677592
1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-one
CID 112677577
1-[2-(5-chloro-2-nitrophenoxy)phenyl]propan-1-one
CID 115994733
1-[2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-1-one
CID 115994681
1-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]propan-1-one
CID 71733548
1-[2-(2-methoxy-4-methylphenoxy)phenyl]propan-1-one
CID 115994697
1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one
CID 103046633
5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol
CID 67724550
1-(4-chloro-2-methoxyphenyl)propan-1-one
CID 19901195
2-amino-3-(2,4-dichlorophenoxy)benzoic acid
CID 113333260
2-(2,4-dichlorophenoxy)-N-[(3,5-dichlorophenyl)carbamoyl]benzamide
CID 2805241
[2-(2,4-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119562310

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one?
The IUPAC name of 1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one (CID 112677568) is 1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one.
What is the SMILES notation for 1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one?
The canonical SMILES for 1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one is CCC(=O)c1ccccc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one?
The InChIKey is ZHPUZHKPZLAODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O2/c1-2-13(18)11-5-3-4-6-14(11)19-15-8-7-10(16)9-12(15)17/h3-9H,2H2,1H3.
What are the key properties of 1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one?
1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one has a molecular weight of 295.17 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one is sourced from PubChem (CID 112677568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).