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

C15H11Cl2FO2 — CID 62034523

IUPAC1-(3,4-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one
SMILESO=C(COc1ccc(Cl)c(Cl)c1)Cc1ccccc1F
InChIInChI=1S/C15H11Cl2FO2/c16-13-6-5-12(8-14(13)17)20-9-11(19)7-10-3-1-2-4-15(10)18/h1-6,8H,7,9H2
InChIKeyKHNALPMJIQUHIO-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.32
Rot. Bonds5

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

1-(3,4-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one (PubChem CID 62034523) has the molecular formula C15H11Cl2FO2 and a molecular weight of 313.16 g/mol. Its IUPAC name is 1-(3,4-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one
PubChem CID62034523
Molecular FormulaC15H11Cl2FO2
Molecular Weight313.16 g/mol
Exact Mass312.01
IUPAC Name1-(3,4-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one
SMILESO=C(COc1ccc(Cl)c(Cl)c1)Cc1ccccc1F
InChIInChI=1S/C15H11Cl2FO2/c16-13-6-5-12(8-14(13)17)20-9-11(19)7-10-3-1-2-4-15(10)18/h1-6,8H,7,9H2
InChIKeyKHNALPMJIQUHIO-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

2-(3,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 9196943
1-(2-fluorophenyl)-3-phenoxypropan-2-one
CID 43799913
1-(4-chloro-3-fluorophenoxy)-3-phenylpropan-2-one
CID 82716660
1-(2,3-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one
CID 62030082
1-(2-fluorophenyl)-3-(4-nitrophenoxy)propan-2-one
CID 61031387
2-(4-chloro-3-methylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 9289604
1-(4-chloro-3-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one
CID 107890837
1-(2-fluoro-5-methylphenoxy)-3-(2-fluorophenyl)propan-2-one
CID 64854059
2-(3,4-dichlorophenoxy)-N-[3-(2-fluorophenoxy)propyl]acetamide
CID 39490271
1,2-dichloro-4-[(2-ethylphenyl)methoxy]benzene
CID 70995719
1-(4-chlorophenoxy)-3-(2-methylphenyl)propan-2-one
CID 105079492
2-(3,4-dichlorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60624448

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one?
The IUPAC name of 1-(3,4-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one (CID 62034523) is 1-(3,4-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(3,4-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(3,4-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one is O=C(COc1ccc(Cl)c(Cl)c1)Cc1ccccc1F.
What is the InChIKey of 1-(3,4-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one?
The InChIKey is KHNALPMJIQUHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO2/c16-13-6-5-12(8-14(13)17)20-9-11(19)7-10-3-1-2-4-15(10)18/h1-6,8H,7,9H2.
What are the key properties of 1-(3,4-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one?
1-(3,4-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-(3,4-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one is sourced from PubChem (CID 62034523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).