2-(4-fluorophenyl)ethyl 2-(2,4-dichlorophenoxy)propanoate

C17H15Cl2FO3 — CID 71212764

IUPAC2-(4-fluorophenyl)ethyl 2-(2,4-dichlorophenoxy)propanoate
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)OCCc1ccc(F)cc1
InChIInChI=1S/C17H15Cl2FO3/c1-11(23-16-7-4-13(18)10-15(16)19)17(21)22-9-8-12-2-5-14(20)6-3-12/h2-7,10-11H,8-9H2,1H3
InChIKeyNMOXQLIAHHBBFP-UHFFFAOYSA-N
MW357.21 g/mol
LogP4.69
Rot. Bonds6

About 2-(4-fluorophenyl)ethyl 2-(2,4-dichlorophenoxy)propanoate

2-(4-fluorophenyl)ethyl 2-(2,4-dichlorophenoxy)propanoate (PubChem CID 71212764) has the molecular formula C17H15Cl2FO3 and a molecular weight of 357.21 g/mol. Its IUPAC name is 2-(4-fluorophenyl)ethyl 2-(2,4-dichlorophenoxy)propanoate.

Molecular Properties

Compound Name2-(4-fluorophenyl)ethyl 2-(2,4-dichlorophenoxy)propanoate
PubChem CID71212764
Molecular FormulaC17H15Cl2FO3
Molecular Weight357.21 g/mol
Exact Mass356.04
IUPAC Name2-(4-fluorophenyl)ethyl 2-(2,4-dichlorophenoxy)propanoate
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)OCCc1ccc(F)cc1
InChIInChI=1S/C17H15Cl2FO3/c1-11(23-16-7-4-13(18)10-15(16)19)17(21)22-9-8-12-2-5-14(20)6-3-12/h2-7,10-11H,8-9H2,1H3
InChIKeyNMOXQLIAHHBBFP-UHFFFAOYSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)ethyl 2-(2,4-dichlorophenoxy)propanoate?
The IUPAC name of 2-(4-fluorophenyl)ethyl 2-(2,4-dichlorophenoxy)propanoate (CID 71212764) is 2-(4-fluorophenyl)ethyl 2-(2,4-dichlorophenoxy)propanoate.
What is the SMILES notation for 2-(4-fluorophenyl)ethyl 2-(2,4-dichlorophenoxy)propanoate?
The canonical SMILES for 2-(4-fluorophenyl)ethyl 2-(2,4-dichlorophenoxy)propanoate is CC(Oc1ccc(Cl)cc1Cl)C(=O)OCCc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)ethyl 2-(2,4-dichlorophenoxy)propanoate?
The InChIKey is NMOXQLIAHHBBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FO3/c1-11(23-16-7-4-13(18)10-15(16)19)17(21)22-9-8-12-2-5-14(20)6-3-12/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 2-(4-fluorophenyl)ethyl 2-(2,4-dichlorophenoxy)propanoate?
2-(4-fluorophenyl)ethyl 2-(2,4-dichlorophenoxy)propanoate has a molecular weight of 357.21 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)ethyl 2-(2,4-dichlorophenoxy)propanoate is sourced from PubChem (CID 71212764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).