2-[3-[3-(2,4-difluorophenyl)phenoxy]phenyl]acetic acid

C20H14F2O3 — CID 59803406

IUPAC2-[3-[3-(2,4-difluorophenyl)phenoxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(Oc2cccc(-c3ccc(F)cc3F)c2)c1
InChIInChI=1S/C20H14F2O3/c21-15-7-8-18(19(22)12-15)14-4-2-6-17(11-14)25-16-5-1-3-13(9-16)10-20(23)24/h1-9,11-12H,10H2,(H,23,24)
InChIKeyNZPGMPCECFGTGV-UHFFFAOYSA-N
MW340.33 g/mol
LogP5.05
Rot. Bonds5

About 2-[3-[3-(2,4-difluorophenyl)phenoxy]phenyl]acetic acid

2-[3-[3-(2,4-difluorophenyl)phenoxy]phenyl]acetic acid (PubChem CID 59803406) has the molecular formula C20H14F2O3 and a molecular weight of 340.33 g/mol. Its IUPAC name is 2-[3-[3-(2,4-difluorophenyl)phenoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[3-(2,4-difluorophenyl)phenoxy]phenyl]acetic acid
PubChem CID59803406
Molecular FormulaC20H14F2O3
Molecular Weight340.33 g/mol
Exact Mass340.09
IUPAC Name2-[3-[3-(2,4-difluorophenyl)phenoxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(Oc2cccc(-c3ccc(F)cc3F)c2)c1
InChIInChI=1S/C20H14F2O3/c21-15-7-8-18(19(22)12-15)14-4-2-6-17(11-14)25-16-5-1-3-13(9-16)10-20(23)24/h1-9,11-12H,10H2,(H,23,24)
InChIKeyNZPGMPCECFGTGV-UHFFFAOYSA-N
XLogP5.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.33
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-fluorophenoxy)phenyl]acetic acid
CID 138754182
2-[3-[3-(2-chloro-4-fluorophenyl)phenoxy]-5-methoxyphenyl]acetic acid
CID 59803449
2-[3-[3-[2-chloro-4-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid
CID 59803462
2-[3-(2-chloro-4-fluorophenyl)phenyl]acetic acid
CID 155508313
2-[3-[3-(aminomethyl)-5-fluorophenoxy]phenyl]acetic acid
CID 140512656
2-[3-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid
CID 104606526
2-[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]acetic acid
CID 61398552
2-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]acetic acid
CID 151855786
2-[3-(3-methoxyphenoxy)phenyl]acetic acid
CID 19421788
2-(3-fluorooxyphenyl)acetic acid
CID 69494655
2-[3-[3-(6-methoxy-3-pyridinyl)phenoxy]phenyl]acetic acid
CID 59803473
2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid
CID 118456825

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2,4-difluorophenyl)phenoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[3-(2,4-difluorophenyl)phenoxy]phenyl]acetic acid (CID 59803406) is 2-[3-[3-(2,4-difluorophenyl)phenoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[3-(2,4-difluorophenyl)phenoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[3-(2,4-difluorophenyl)phenoxy]phenyl]acetic acid is O=C(O)Cc1cccc(Oc2cccc(-c3ccc(F)cc3F)c2)c1.
What is the InChIKey of 2-[3-[3-(2,4-difluorophenyl)phenoxy]phenyl]acetic acid?
The InChIKey is NZPGMPCECFGTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2O3/c21-15-7-8-18(19(22)12-15)14-4-2-6-17(11-14)25-16-5-1-3-13(9-16)10-20(23)24/h1-9,11-12H,10H2,(H,23,24).
What are the key properties of 2-[3-[3-(2,4-difluorophenyl)phenoxy]phenyl]acetic acid?
2-[3-[3-(2,4-difluorophenyl)phenoxy]phenyl]acetic acid has a molecular weight of 340.33 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2,4-difluorophenyl)phenoxy]phenyl]acetic acid is sourced from PubChem (CID 59803406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).