2-[2-(4-chlorophenoxy)-3-fluorophenoxy]acetic acid

C14H10ClFO4 — CID 110160703

IUPAC2-[2-(4-chlorophenoxy)-3-fluorophenoxy]acetic acid
SMILESO=C(O)COc1cccc(F)c1Oc1ccc(Cl)cc1
InChIInChI=1S/C14H10ClFO4/c15-9-4-6-10(7-5-9)20-14-11(16)2-1-3-12(14)19-8-13(17)18/h1-7H,8H2,(H,17,18)
InChIKeyKSXZHMVTXUZAPF-UHFFFAOYSA-N
MW296.68 g/mol
LogP3.73
Rot. Bonds5

About 2-[2-(4-chlorophenoxy)-3-fluorophenoxy]acetic acid

2-[2-(4-chlorophenoxy)-3-fluorophenoxy]acetic acid (PubChem CID 110160703) has the molecular formula C14H10ClFO4 and a molecular weight of 296.68 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)-3-fluorophenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)-3-fluorophenoxy]acetic acid
PubChem CID110160703
Molecular FormulaC14H10ClFO4
Molecular Weight296.68 g/mol
Exact Mass296.03
IUPAC Name2-[2-(4-chlorophenoxy)-3-fluorophenoxy]acetic acid
SMILESO=C(O)COc1cccc(F)c1Oc1ccc(Cl)cc1
InChIInChI=1S/C14H10ClFO4/c15-9-4-6-10(7-5-9)20-14-11(16)2-1-3-12(14)19-8-13(17)18/h1-7H,8H2,(H,17,18)
InChIKeyKSXZHMVTXUZAPF-UHFFFAOYSA-N
XLogP3.73
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)-3-fluorophenoxy]acetic acid?
The IUPAC name of 2-[2-(4-chlorophenoxy)-3-fluorophenoxy]acetic acid (CID 110160703) is 2-[2-(4-chlorophenoxy)-3-fluorophenoxy]acetic acid.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)-3-fluorophenoxy]acetic acid?
The canonical SMILES for 2-[2-(4-chlorophenoxy)-3-fluorophenoxy]acetic acid is O=C(O)COc1cccc(F)c1Oc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)-3-fluorophenoxy]acetic acid?
The InChIKey is KSXZHMVTXUZAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO4/c15-9-4-6-10(7-5-9)20-14-11(16)2-1-3-12(14)19-8-13(17)18/h1-7H,8H2,(H,17,18).
What are the key properties of 2-[2-(4-chlorophenoxy)-3-fluorophenoxy]acetic acid?
2-[2-(4-chlorophenoxy)-3-fluorophenoxy]acetic acid has a molecular weight of 296.68 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)-3-fluorophenoxy]acetic acid is sourced from PubChem (CID 110160703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).