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

C15H11Cl2FO2 — CID 62030082

IUPAC1-(2,3-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one
SMILESO=C(COc1cccc(Cl)c1Cl)Cc1ccccc1F
InChIInChI=1S/C15H11Cl2FO2/c16-12-5-3-7-14(15(12)17)20-9-11(19)8-10-4-1-2-6-13(10)18/h1-7H,8-9H2
InChIKeyWWYLGONEDPYFDG-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.32
Rot. Bonds5

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

1-(2,3-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one (PubChem CID 62030082) has the molecular formula C15H11Cl2FO2 and a molecular weight of 313.16 g/mol. Its IUPAC name is 1-(2,3-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(2,3-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one
PubChem CID62030082
Molecular FormulaC15H11Cl2FO2
Molecular Weight313.16 g/mol
Exact Mass312.01
IUPAC Name1-(2,3-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one
SMILESO=C(COc1cccc(Cl)c1Cl)Cc1ccccc1F
InChIInChI=1S/C15H11Cl2FO2/c16-12-5-3-7-14(15(12)17)20-9-11(19)8-10-4-1-2-6-13(10)18/h1-7H,8-9H2
InChIKeyWWYLGONEDPYFDG-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-(3,4-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one
CID 62034523
1-(2,3-dichlorophenoxy)-3-methoxypropan-2-one
CID 107508075
1-(2-fluorophenyl)-3-phenoxypropan-2-one
CID 43799913
1-(2-fluoro-5-methylphenoxy)-3-(2-fluorophenyl)propan-2-one
CID 64854059
N-[(2-chlorophenyl)methyl]-2-(2,3-dichlorophenoxy)acetamide
CID 2602916
2-(2,3-dichlorophenoxy)acetic acid;ethanol
CID 174851678
1-chloro-3-[2-chloro-3-(fluoromethoxy)phenyl]propan-2-one
CID 170836566
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 107307923
(2,3-dichlorophenyl) 2-fluorobenzoate
CID 91711756
1-(2-bromophenyl)-2-(2,3-dichlorophenoxy)ethanone
CID 60624762
N-(2-benzylphenyl)-2-(2,3-dichlorophenoxy)acetamide
CID 7787717
1-(2-chloro-3-fluorophenyl)-4,4-dimethylpentan-2-one
CID 112653318

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one?
The IUPAC name of 1-(2,3-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one (CID 62030082) is 1-(2,3-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(2,3-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(2,3-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one is O=C(COc1cccc(Cl)c1Cl)Cc1ccccc1F.
What is the InChIKey of 1-(2,3-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one?
The InChIKey is WWYLGONEDPYFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO2/c16-12-5-3-7-14(15(12)17)20-9-11(19)8-10-4-1-2-6-13(10)18/h1-7H,8-9H2.
What are the key properties of 1-(2,3-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one?
1-(2,3-dichlorophenoxy)-3-(2-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-(2,3-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one is sourced from PubChem (CID 62030082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).