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

C15H11Cl2FO2 — CID 62028936

IUPAC3-(2,5-dichlorophenoxy)-1-(4-fluorophenyl)propan-1-one
SMILESO=C(CCOc1cc(Cl)ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C15H11Cl2FO2/c16-11-3-6-13(17)15(9-11)20-8-7-14(19)10-1-4-12(18)5-2-10/h1-6,9H,7-8H2
InChIKeyXDAMBZIUILFFEZ-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.78
Rot. Bonds5

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

3-(2,5-dichlorophenoxy)-1-(4-fluorophenyl)propan-1-one (PubChem CID 62028936) has the molecular formula C15H11Cl2FO2 and a molecular weight of 313.16 g/mol. Its IUPAC name is 3-(2,5-dichlorophenoxy)-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(2,5-dichlorophenoxy)-1-(4-fluorophenyl)propan-1-one
PubChem CID62028936
Molecular FormulaC15H11Cl2FO2
Molecular Weight313.16 g/mol
Exact Mass312.01
IUPAC Name3-(2,5-dichlorophenoxy)-1-(4-fluorophenyl)propan-1-one
SMILESO=C(CCOc1cc(Cl)ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C15H11Cl2FO2/c16-11-3-6-13(17)15(9-11)20-8-7-14(19)10-1-4-12(18)5-2-10/h1-6,9H,7-8H2
InChIKeyXDAMBZIUILFFEZ-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 60642957
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3-(5-bromo-2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
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3-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 64853662
3-(2-chloro-6-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
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3-(4-chloro-3-ethylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 63567261
[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 112814782
1-(2,5-dichlorophenoxy)pentan-3-one
CID 39349556
N-[2-(2,5-dichlorophenoxy)ethyl]-4-fluoroaniline
CID 63505890
2-(2,5-dichlorophenyl)-1-(4-fluorophenyl)ethanone
CID 65316679
1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one
CID 43793632
3-(2,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-one
CID 68742879

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenoxy)-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 3-(2,5-dichlorophenoxy)-1-(4-fluorophenyl)propan-1-one (CID 62028936) is 3-(2,5-dichlorophenoxy)-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-(2,5-dichlorophenoxy)-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 3-(2,5-dichlorophenoxy)-1-(4-fluorophenyl)propan-1-one is O=C(CCOc1cc(Cl)ccc1Cl)c1ccc(F)cc1.
What is the InChIKey of 3-(2,5-dichlorophenoxy)-1-(4-fluorophenyl)propan-1-one?
The InChIKey is XDAMBZIUILFFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO2/c16-11-3-6-13(17)15(9-11)20-8-7-14(19)10-1-4-12(18)5-2-10/h1-6,9H,7-8H2.
What are the key properties of 3-(2,5-dichlorophenoxy)-1-(4-fluorophenyl)propan-1-one?
3-(2,5-dichlorophenoxy)-1-(4-fluorophenyl)propan-1-one has a molecular weight of 313.16 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenoxy)-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 62028936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).