2-[4-(3-fluoro-4-propoxyphenyl)phenoxy]propanoic acid

C18H19FO4 — CID 19799853

IUPAC2-[4-(3-fluoro-4-propoxyphenyl)phenoxy]propanoic acid
SMILESCCCOc1ccc(-c2ccc(OC(C)C(=O)O)cc2)cc1F
InChIInChI=1S/C18H19FO4/c1-3-10-22-17-9-6-14(11-16(17)19)13-4-7-15(8-5-13)23-12(2)18(20)21/h4-9,11-12H,3,10H2,1-2H3,(H,20,21)
InChIKeyJWIIHWNWGPGZAR-UHFFFAOYSA-N
MW318.34 g/mol
LogP4.13
Rot. Bonds7

About 2-[4-(3-fluoro-4-propoxyphenyl)phenoxy]propanoic acid

2-[4-(3-fluoro-4-propoxyphenyl)phenoxy]propanoic acid (PubChem CID 19799853) has the molecular formula C18H19FO4 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-[4-(3-fluoro-4-propoxyphenyl)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-(3-fluoro-4-propoxyphenyl)phenoxy]propanoic acid
PubChem CID19799853
Molecular FormulaC18H19FO4
Molecular Weight318.34 g/mol
Exact Mass318.13
IUPAC Name2-[4-(3-fluoro-4-propoxyphenyl)phenoxy]propanoic acid
SMILESCCCOc1ccc(-c2ccc(OC(C)C(=O)O)cc2)cc1F
InChIInChI=1S/C18H19FO4/c1-3-10-22-17-9-6-14(11-16(17)19)13-4-7-15(8-5-13)23-12(2)18(20)21/h4-9,11-12H,3,10H2,1-2H3,(H,20,21)
InChIKeyJWIIHWNWGPGZAR-UHFFFAOYSA-N
XLogP4.13
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoro-4-propoxyphenyl)phenoxy]propanoic acid?
The IUPAC name of 2-[4-(3-fluoro-4-propoxyphenyl)phenoxy]propanoic acid (CID 19799853) is 2-[4-(3-fluoro-4-propoxyphenyl)phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-(3-fluoro-4-propoxyphenyl)phenoxy]propanoic acid?
The canonical SMILES for 2-[4-(3-fluoro-4-propoxyphenyl)phenoxy]propanoic acid is CCCOc1ccc(-c2ccc(OC(C)C(=O)O)cc2)cc1F.
What is the InChIKey of 2-[4-(3-fluoro-4-propoxyphenyl)phenoxy]propanoic acid?
The InChIKey is JWIIHWNWGPGZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO4/c1-3-10-22-17-9-6-14(11-16(17)19)13-4-7-15(8-5-13)23-12(2)18(20)21/h4-9,11-12H,3,10H2,1-2H3,(H,20,21).
What are the key properties of 2-[4-(3-fluoro-4-propoxyphenyl)phenoxy]propanoic acid?
2-[4-(3-fluoro-4-propoxyphenyl)phenoxy]propanoic acid has a molecular weight of 318.34 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoro-4-propoxyphenyl)phenoxy]propanoic acid is sourced from PubChem (CID 19799853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).