2-[4-(4-ethoxy-3-fluorophenyl)phenoxy]propanoic acid

C17H17FO4 — CID 19799871

IUPAC2-[4-(4-ethoxy-3-fluorophenyl)phenoxy]propanoic acid
SMILESCCOc1ccc(-c2ccc(OC(C)C(=O)O)cc2)cc1F
InChIInChI=1S/C17H17FO4/c1-3-21-16-9-6-13(10-15(16)18)12-4-7-14(8-5-12)22-11(2)17(19)20/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyCMFWHHDMPPSLLN-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.74
Rot. Bonds6

About 2-[4-(4-ethoxy-3-fluorophenyl)phenoxy]propanoic acid

2-[4-(4-ethoxy-3-fluorophenyl)phenoxy]propanoic acid (PubChem CID 19799871) has the molecular formula C17H17FO4 and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-[4-(4-ethoxy-3-fluorophenyl)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-(4-ethoxy-3-fluorophenyl)phenoxy]propanoic acid
PubChem CID19799871
Molecular FormulaC17H17FO4
Molecular Weight304.32 g/mol
Exact Mass304.11
IUPAC Name2-[4-(4-ethoxy-3-fluorophenyl)phenoxy]propanoic acid
SMILESCCOc1ccc(-c2ccc(OC(C)C(=O)O)cc2)cc1F
InChIInChI=1S/C17H17FO4/c1-3-21-16-9-6-13(10-15(16)18)12-4-7-14(8-5-12)22-11(2)17(19)20/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyCMFWHHDMPPSLLN-UHFFFAOYSA-N
XLogP3.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxy-3-fluorophenyl)phenoxy]propanoic acid?
The IUPAC name of 2-[4-(4-ethoxy-3-fluorophenyl)phenoxy]propanoic acid (CID 19799871) is 2-[4-(4-ethoxy-3-fluorophenyl)phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-(4-ethoxy-3-fluorophenyl)phenoxy]propanoic acid?
The canonical SMILES for 2-[4-(4-ethoxy-3-fluorophenyl)phenoxy]propanoic acid is CCOc1ccc(-c2ccc(OC(C)C(=O)O)cc2)cc1F.
What is the InChIKey of 2-[4-(4-ethoxy-3-fluorophenyl)phenoxy]propanoic acid?
The InChIKey is CMFWHHDMPPSLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO4/c1-3-21-16-9-6-13(10-15(16)18)12-4-7-14(8-5-12)22-11(2)17(19)20/h4-11H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-(4-ethoxy-3-fluorophenyl)phenoxy]propanoic acid?
2-[4-(4-ethoxy-3-fluorophenyl)phenoxy]propanoic acid has a molecular weight of 304.32 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxy-3-fluorophenyl)phenoxy]propanoic acid is sourced from PubChem (CID 19799871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).