2-[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenoxy]acetic acid

C20H17NO4 — CID 155797235

IUPAC2-[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(c2ccc(O)cc2)c2ccccn2)cc1
InChIInChI=1S/C20H17NO4/c22-16-8-4-14(5-9-16)20(18-3-1-2-12-21-18)15-6-10-17(11-7-15)25-13-19(23)24/h1-12,20,22H,13H2,(H,23,24)
InChIKeyFMDVSTZXZYZZAN-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.43
Rot. Bonds6

About 2-[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenoxy]acetic acid

2-[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenoxy]acetic acid (PubChem CID 155797235) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenoxy]acetic acid
PubChem CID155797235
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name2-[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(c2ccc(O)cc2)c2ccccn2)cc1
InChIInChI=1S/C20H17NO4/c22-16-8-4-14(5-9-16)20(18-3-1-2-12-21-18)15-6-10-17(11-7-15)25-13-19(23)24/h1-12,20,22H,13H2,(H,23,24)
InChIKeyFMDVSTZXZYZZAN-UHFFFAOYSA-N
XLogP3.43
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

sodium [4-[[4-(carboxymethoxy)phenyl]-pyridin-2-ylmethyl]phenyl] sulfate
CID 155797231
[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenyl] trifluoromethanesulfonate
CID 89286436
bis(hexadecanoic acid);4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenol
CID 21125852
4-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol
CID 71113745
3-(4-hydroxyphenoxy)-2-pyridin-2-ylpropanoic acid
CID 117241514
2-[bis(4-prop-2-ynoxyphenyl)methyl]pyridine;bis(gold(1+))
CID 177482681
2-[4-[phenyl(sulfanyl)methyl]phenoxy]acetic acid
CID 10989451
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
[4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate
CID 71491789
2-[4-(1-phenylpropyl)phenoxy]acetic acid
CID 101304213
2-phenoxyacetic acid;titanium
CID 174896747
2-[phenyl(pyridin-2-yl)methyl]pyridine
CID 4110137

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenoxy]acetic acid (CID 155797235) is 2-[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenoxy]acetic acid is O=C(O)COc1ccc(C(c2ccc(O)cc2)c2ccccn2)cc1.
What is the InChIKey of 2-[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenoxy]acetic acid?
The InChIKey is FMDVSTZXZYZZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c22-16-8-4-14(5-9-16)20(18-3-1-2-12-21-18)15-6-10-17(11-7-15)25-13-19(23)24/h1-12,20,22H,13H2,(H,23,24).
What are the key properties of 2-[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenoxy]acetic acid?
2-[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenoxy]acetic acid has a molecular weight of 335.36 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenoxy]acetic acid is sourced from PubChem (CID 155797235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).