1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-one

C15H12Cl2O2 — CID 112677577

IUPAC1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C15H12Cl2O2/c1-2-12(18)10-6-3-4-8-13(10)19-14-9-5-7-11(16)15(14)17/h3-9H,2H2,1H3
InChIKeyRDXGVBBPMWDJBI-UHFFFAOYSA-N
MW295.17 g/mol
LogP5.38
Rot. Bonds4

About 1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-one

1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-one (PubChem CID 112677577) has the molecular formula C15H12Cl2O2 and a molecular weight of 295.17 g/mol. Its IUPAC name is 1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-one
PubChem CID112677577
Molecular FormulaC15H12Cl2O2
Molecular Weight295.17 g/mol
Exact Mass294.02
IUPAC Name1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C15H12Cl2O2/c1-2-12(18)10-6-3-4-8-13(10)19-14-9-5-7-11(16)15(14)17/h3-9H,2H2,1H3
InChIKeyRDXGVBBPMWDJBI-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-(2,3-dichlorophenyl)propan-1-one
CID 22173184
1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one
CID 112677568
1-[2-(2-chloro-4-fluorophenoxy)phenyl]propan-1-one
CID 112677592
1-[2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-1-one
CID 115994681
1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-one
CID 29287743
1-[3-chloro-2-(fluoromethoxy)phenyl]propan-1-one
CID 118830150
1-[2-(5-chloro-2-nitrophenoxy)phenyl]propan-1-one
CID 115994733
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
1-(2,3-dichlorophenyl)butan-1-one
CID 54508940
(1R)-1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-ol
CID 103960427
1-[2-(2-methoxy-4-methylphenoxy)phenyl]propan-1-one
CID 115994697
1-[2-(2-fluoro-6-nitrophenoxy)phenyl]propan-1-one
CID 104831813

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-one?
The IUPAC name of 1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-one (CID 112677577) is 1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-one.
What is the SMILES notation for 1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-one?
The canonical SMILES for 1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-one is CCC(=O)c1ccccc1Oc1cccc(Cl)c1Cl.
What is the InChIKey of 1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-one?
The InChIKey is RDXGVBBPMWDJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O2/c1-2-12(18)10-6-3-4-8-13(10)19-14-9-5-7-11(16)15(14)17/h3-9H,2H2,1H3.
What are the key properties of 1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-one?
1-[2-(2,3-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-(2,3-dichlorophenoxy)phenyl]propan-1-one is sourced from PubChem (CID 112677577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).