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

C17H15Cl2FO2 — CID 71212770

IUPAC4-(2,4-dichlorophenoxy)-1-(4-fluorophenyl)pentan-3-one
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C17H15Cl2FO2/c1-11(22-17-9-5-13(18)10-15(17)19)16(21)8-4-12-2-6-14(20)7-3-12/h2-3,5-7,9-11H,4,8H2,1H3
InChIKeyKFSYVAHXBIKXAC-UHFFFAOYSA-N
MW341.21 g/mol
LogP5.10
Rot. Bonds6

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

4-(2,4-dichlorophenoxy)-1-(4-fluorophenyl)pentan-3-one (PubChem CID 71212770) has the molecular formula C17H15Cl2FO2 and a molecular weight of 341.21 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-1-(4-fluorophenyl)pentan-3-one.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-1-(4-fluorophenyl)pentan-3-one
PubChem CID71212770
Molecular FormulaC17H15Cl2FO2
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name4-(2,4-dichlorophenoxy)-1-(4-fluorophenyl)pentan-3-one
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C17H15Cl2FO2/c1-11(22-17-9-5-13(18)10-15(17)19)16(21)8-4-12-2-6-14(20)7-3-12/h2-3,5-7,9-11H,4,8H2,1H3
InChIKeyKFSYVAHXBIKXAC-UHFFFAOYSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.21
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2,4-dichlorophenoxy)-1-(4-fluorophenyl)pentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-1-(4-fluorophenyl)pentan-3-one?
The IUPAC name of 4-(2,4-dichlorophenoxy)-1-(4-fluorophenyl)pentan-3-one (CID 71212770) is 4-(2,4-dichlorophenoxy)-1-(4-fluorophenyl)pentan-3-one.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-1-(4-fluorophenyl)pentan-3-one?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-1-(4-fluorophenyl)pentan-3-one is CC(Oc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(F)cc1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-1-(4-fluorophenyl)pentan-3-one?
The InChIKey is KFSYVAHXBIKXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FO2/c1-11(22-17-9-5-13(18)10-15(17)19)16(21)8-4-12-2-6-14(20)7-3-12/h2-3,5-7,9-11H,4,8H2,1H3.
What are the key properties of 4-(2,4-dichlorophenoxy)-1-(4-fluorophenyl)pentan-3-one?
4-(2,4-dichlorophenoxy)-1-(4-fluorophenyl)pentan-3-one has a molecular weight of 341.21 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-1-(4-fluorophenyl)pentan-3-one is sourced from PubChem (CID 71212770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).