2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methoxy]phenoxy]acetic acid

C22H19FO4 — CID 139600331

IUPAC2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methoxy]phenoxy]acetic acid
SMILESCc1ccccc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1
InChIInChI=1S/C22H19FO4/c1-15-5-2-3-8-19(15)17-7-4-6-16(11-17)13-26-18-9-10-21(20(23)12-18)27-14-22(24)25/h2-12H,13-14H2,1H3,(H,24,25)
InChIKeyNJYJBYPNDWNZAH-UHFFFAOYSA-N
MW366.39 g/mol
LogP4.84
Rot. Bonds7

About 2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methoxy]phenoxy]acetic acid

2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methoxy]phenoxy]acetic acid (PubChem CID 139600331) has the molecular formula C22H19FO4 and a molecular weight of 366.39 g/mol. Its IUPAC name is 2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methoxy]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methoxy]phenoxy]acetic acid
PubChem CID139600331
Molecular FormulaC22H19FO4
Molecular Weight366.39 g/mol
Exact Mass366.13
IUPAC Name2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methoxy]phenoxy]acetic acid
SMILESCc1ccccc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1
InChIInChI=1S/C22H19FO4/c1-15-5-2-3-8-19(15)17-7-4-6-16(11-17)13-26-18-9-10-21(20(23)12-18)27-14-22(24)25/h2-12H,13-14H2,1H3,(H,24,25)
InChIKeyNJYJBYPNDWNZAH-UHFFFAOYSA-N
XLogP4.84
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methoxy]phenoxy]acetic acid?
The IUPAC name of 2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methoxy]phenoxy]acetic acid (CID 139600331) is 2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methoxy]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methoxy]phenoxy]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methoxy]phenoxy]acetic acid is Cc1ccccc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1.
What is the InChIKey of 2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methoxy]phenoxy]acetic acid?
The InChIKey is NJYJBYPNDWNZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FO4/c1-15-5-2-3-8-19(15)17-7-4-6-16(11-17)13-26-18-9-10-21(20(23)12-18)27-14-22(24)25/h2-12H,13-14H2,1H3,(H,24,25).
What are the key properties of 2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methoxy]phenoxy]acetic acid?
2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methoxy]phenoxy]acetic acid has a molecular weight of 366.39 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methoxy]phenoxy]acetic acid is sourced from PubChem (CID 139600331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).