2-[2-fluoro-4-[[3-(4-methoxy-2,6-dimethylphenyl)phenyl]methoxy]phenoxy]acetic acid

C24H23FO5 — CID 122193735

IUPAC2-[2-fluoro-4-[[3-(4-methoxy-2,6-dimethylphenyl)phenyl]methoxy]phenoxy]acetic acid
SMILESCOc1cc(C)c(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1
InChIInChI=1S/C24H23FO5/c1-15-9-20(28-3)10-16(2)24(15)18-6-4-5-17(11-18)13-29-19-7-8-22(21(25)12-19)30-14-23(26)27/h4-12H,13-14H2,1-3H3,(H,26,27)
InChIKeyNPYOAANRTJNYEB-UHFFFAOYSA-N
MW410.44 g/mol
LogP5.16
Rot. Bonds8

About 2-[2-fluoro-4-[[3-(4-methoxy-2,6-dimethylphenyl)phenyl]methoxy]phenoxy]acetic acid

2-[2-fluoro-4-[[3-(4-methoxy-2,6-dimethylphenyl)phenyl]methoxy]phenoxy]acetic acid (PubChem CID 122193735) has the molecular formula C24H23FO5 and a molecular weight of 410.44 g/mol. Its IUPAC name is 2-[2-fluoro-4-[[3-(4-methoxy-2,6-dimethylphenyl)phenyl]methoxy]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[[3-(4-methoxy-2,6-dimethylphenyl)phenyl]methoxy]phenoxy]acetic acid
PubChem CID122193735
Molecular FormulaC24H23FO5
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC Name2-[2-fluoro-4-[[3-(4-methoxy-2,6-dimethylphenyl)phenyl]methoxy]phenoxy]acetic acid
SMILESCOc1cc(C)c(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1
InChIInChI=1S/C24H23FO5/c1-15-9-20(28-3)10-16(2)24(15)18-6-4-5-17(11-18)13-29-19-7-8-22(21(25)12-19)30-14-23(26)27/h4-12H,13-14H2,1-3H3,(H,26,27)
InChIKeyNPYOAANRTJNYEB-UHFFFAOYSA-N
XLogP5.16
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.44
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[[3-(4-methoxy-2,6-dimethylphenyl)phenyl]methoxy]phenoxy]acetic acid?
The IUPAC name of 2-[2-fluoro-4-[[3-(4-methoxy-2,6-dimethylphenyl)phenyl]methoxy]phenoxy]acetic acid (CID 122193735) is 2-[2-fluoro-4-[[3-(4-methoxy-2,6-dimethylphenyl)phenyl]methoxy]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-[[3-(4-methoxy-2,6-dimethylphenyl)phenyl]methoxy]phenoxy]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-[[3-(4-methoxy-2,6-dimethylphenyl)phenyl]methoxy]phenoxy]acetic acid is COc1cc(C)c(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1.
What is the InChIKey of 2-[2-fluoro-4-[[3-(4-methoxy-2,6-dimethylphenyl)phenyl]methoxy]phenoxy]acetic acid?
The InChIKey is NPYOAANRTJNYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FO5/c1-15-9-20(28-3)10-16(2)24(15)18-6-4-5-17(11-18)13-29-19-7-8-22(21(25)12-19)30-14-23(26)27/h4-12H,13-14H2,1-3H3,(H,26,27).
What are the key properties of 2-[2-fluoro-4-[[3-(4-methoxy-2,6-dimethylphenyl)phenyl]methoxy]phenoxy]acetic acid?
2-[2-fluoro-4-[[3-(4-methoxy-2,6-dimethylphenyl)phenyl]methoxy]phenoxy]acetic acid has a molecular weight of 410.44 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[[3-(4-methoxy-2,6-dimethylphenyl)phenyl]methoxy]phenoxy]acetic acid is sourced from PubChem (CID 122193735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).