1-(3,5-dichlorophenoxy)-3-(4-fluorophenyl)propan-2-one

C15H11Cl2FO2 — CID 62033460

IUPAC1-(3,5-dichlorophenoxy)-3-(4-fluorophenyl)propan-2-one
SMILESO=C(COc1cc(Cl)cc(Cl)c1)Cc1ccc(F)cc1
InChIInChI=1S/C15H11Cl2FO2/c16-11-6-12(17)8-15(7-11)20-9-14(19)5-10-1-3-13(18)4-2-10/h1-4,6-8H,5,9H2
InChIKeyPMNVGAUWBCGCFZ-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.32
Rot. Bonds5

About 1-(3,5-dichlorophenoxy)-3-(4-fluorophenyl)propan-2-one

1-(3,5-dichlorophenoxy)-3-(4-fluorophenyl)propan-2-one (PubChem CID 62033460) has the molecular formula C15H11Cl2FO2 and a molecular weight of 313.16 g/mol. Its IUPAC name is 1-(3,5-dichlorophenoxy)-3-(4-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(3,5-dichlorophenoxy)-3-(4-fluorophenyl)propan-2-one
PubChem CID62033460
Molecular FormulaC15H11Cl2FO2
Molecular Weight313.16 g/mol
Exact Mass312.01
IUPAC Name1-(3,5-dichlorophenoxy)-3-(4-fluorophenyl)propan-2-one
SMILESO=C(COc1cc(Cl)cc(Cl)c1)Cc1ccc(F)cc1
InChIInChI=1S/C15H11Cl2FO2/c16-11-6-12(17)8-15(7-11)20-9-14(19)5-10-1-3-13(18)4-2-10/h1-4,6-8H,5,9H2
InChIKeyPMNVGAUWBCGCFZ-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichlorophenoxy)-3-phenylpropan-2-one
CID 62033281
1-(4-bromo-3,5-dimethylphenoxy)-3-(4-fluorophenyl)propan-2-one
CID 107725192
1-(3-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one
CID 83234141
1-(4-fluorophenoxy)-3-phenylpropan-2-one
CID 43799903
1-(3-chloro-4-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one
CID 103042817
1-(4-chloro-3-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one
CID 107890837
1-(3-bromo-5-fluorophenyl)-3-(3-chlorophenoxy)propan-2-one
CID 105118221
1-chloro-3-(3,5-dichlorophenoxy)propan-2-one
CID 39356766
1-(4-fluorophenyl)-3-(4-nitrophenoxy)propan-2-one
CID 61031388
1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one
CID 105083862
3-[3-(4-fluorophenyl)-2-oxopropoxy]benzonitrile
CID 62030654
1-(4-fluorophenyl)-3-[3-(methoxymethyl)phenoxy]propan-2-one
CID 63985981

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenoxy)-3-(4-fluorophenyl)propan-2-one?
The IUPAC name of 1-(3,5-dichlorophenoxy)-3-(4-fluorophenyl)propan-2-one (CID 62033460) is 1-(3,5-dichlorophenoxy)-3-(4-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(3,5-dichlorophenoxy)-3-(4-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(3,5-dichlorophenoxy)-3-(4-fluorophenyl)propan-2-one is O=C(COc1cc(Cl)cc(Cl)c1)Cc1ccc(F)cc1.
What is the InChIKey of 1-(3,5-dichlorophenoxy)-3-(4-fluorophenyl)propan-2-one?
The InChIKey is PMNVGAUWBCGCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO2/c16-11-6-12(17)8-15(7-11)20-9-14(19)5-10-1-3-13(18)4-2-10/h1-4,6-8H,5,9H2.
What are the key properties of 1-(3,5-dichlorophenoxy)-3-(4-fluorophenyl)propan-2-one?
1-(3,5-dichlorophenoxy)-3-(4-fluorophenyl)propan-2-one has a molecular weight of 313.16 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenoxy)-3-(4-fluorophenyl)propan-2-one is sourced from PubChem (CID 62033460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).