2-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid

C21H20N2O4 — CID 154247950

IUPAC2-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid
SMILESCOc1ccccc1-c1nccc(COc2ccccc2C(C)C(=O)O)n1
InChIInChI=1S/C21H20N2O4/c1-14(21(24)25)16-7-3-6-10-19(16)27-13-15-11-12-22-20(23-15)17-8-4-5-9-18(17)26-2/h3-12,14H,13H2,1-2H3,(H,24,25)
InChIKeyGKOBSWAJGMEASH-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.92
Rot. Bonds7

About 2-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid

2-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid (PubChem CID 154247950) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid
PubChem CID154247950
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name2-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid
SMILESCOc1ccccc1-c1nccc(COc2ccccc2C(C)C(=O)O)n1
InChIInChI=1S/C21H20N2O4/c1-14(21(24)25)16-7-3-6-10-19(16)27-13-15-11-12-22-20(23-15)17-8-4-5-9-18(17)26-2/h3-12,14H,13H2,1-2H3,(H,24,25)
InChIKeyGKOBSWAJGMEASH-UHFFFAOYSA-N
XLogP3.92
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]methoxy]phenyl]propanoic acid
CID 167428797
2-amino-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid
CID 135322262
2-[2-[(6-methoxy-2-phenylpyrimidin-4-yl)methoxy]phenyl]propanoic acid
CID 142793840
2-[2-[(5-fluoro-2-pyridinyl)methoxy]phenyl]propanoic acid
CID 142793839
[2-(2-methoxyphenyl)pyrimidin-4-yl]methanol
CID 62748662
3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanal
CID 175266949
2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]ethanol
CID 170713846
(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475
[2-[2-(trideuteriomethoxy)phenyl]pyrimidin-4-yl]methanol
CID 118157470
methyl 2-(2-phenylmethoxyphenyl)propanoate
CID 54327103
N-[[2-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 115534303
(2R)-2-[3-(3-chloro-4-hydroxy-2-methylphenyl)-2-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid
CID 135322403

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid?
The IUPAC name of 2-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid (CID 154247950) is 2-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid.
What is the SMILES notation for 2-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid?
The canonical SMILES for 2-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid is COc1ccccc1-c1nccc(COc2ccccc2C(C)C(=O)O)n1.
What is the InChIKey of 2-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid?
The InChIKey is GKOBSWAJGMEASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-14(21(24)25)16-7-3-6-10-19(16)27-13-15-11-12-22-20(23-15)17-8-4-5-9-18(17)26-2/h3-12,14H,13H2,1-2H3,(H,24,25).
What are the key properties of 2-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid?
2-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid has a molecular weight of 364.40 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid is sourced from PubChem (CID 154247950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).