3-[3-[[4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid

C23H21FO4 — CID 71460190

IUPAC3-[3-[[4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid
SMILESCOc1ccc(F)c(-c2ccc(COc3cccc(CCC(=O)O)c3)cc2)c1
InChIInChI=1S/C23H21FO4/c1-27-19-10-11-22(24)21(14-19)18-8-5-17(6-9-18)15-28-20-4-2-3-16(13-20)7-12-23(25)26/h2-6,8-11,13-14H,7,12,15H2,1H3,(H,25,26)
InChIKeyWVEWOJXUDQZEKF-UHFFFAOYSA-N
MW380.42 g/mol
LogP5.10
Rot. Bonds8

About 3-[3-[[4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid

3-[3-[[4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid (PubChem CID 71460190) has the molecular formula C23H21FO4 and a molecular weight of 380.42 g/mol. Its IUPAC name is 3-[3-[[4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[[4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid
PubChem CID71460190
Molecular FormulaC23H21FO4
Molecular Weight380.42 g/mol
Exact Mass380.14
IUPAC Name3-[3-[[4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid
SMILESCOc1ccc(F)c(-c2ccc(COc3cccc(CCC(=O)O)c3)cc2)c1
InChIInChI=1S/C23H21FO4/c1-27-19-10-11-22(24)21(14-19)18-8-5-17(6-9-18)15-28-20-4-2-3-16(13-20)7-12-23(25)26/h2-6,8-11,13-14H,7,12,15H2,1H3,(H,25,26)
InChIKeyWVEWOJXUDQZEKF-UHFFFAOYSA-N
XLogP5.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.42
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[3-[[4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid (CID 71460190) is 3-[3-[[4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[[4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[[4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid is COc1ccc(F)c(-c2ccc(COc3cccc(CCC(=O)O)c3)cc2)c1.
What is the InChIKey of 3-[3-[[4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid?
The InChIKey is WVEWOJXUDQZEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FO4/c1-27-19-10-11-22(24)21(14-19)18-8-5-17(6-9-18)15-28-20-4-2-3-16(13-20)7-12-23(25)26/h2-6,8-11,13-14H,7,12,15H2,1H3,(H,25,26).
What are the key properties of 3-[3-[[4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid?
3-[3-[[4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid has a molecular weight of 380.42 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid is sourced from PubChem (CID 71460190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).