3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid

C17H18O5 — CID 117244346

IUPAC3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1OCC(C(=O)O)c1ccccc1OC
InChIInChI=1S/C17H18O5/c1-20-14-8-4-3-7-12(14)13(17(18)19)11-22-16-10-6-5-9-15(16)21-2/h3-10,13H,11H2,1-2H3,(H,18,19)
InChIKeyYDFMRNLARNELDK-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.95
Rot. Bonds7

About 3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid

3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid (PubChem CID 117244346) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
PubChem CID117244346
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1OCC(C(=O)O)c1ccccc1OC
InChIInChI=1S/C17H18O5/c1-20-14-8-4-3-7-12(14)13(17(18)19)11-22-16-10-6-5-9-15(16)21-2/h3-10,13H,11H2,1-2H3,(H,18,19)
InChIKeyYDFMRNLARNELDK-UHFFFAOYSA-N
XLogP2.95
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-hydroxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
CID 117244439
3-(2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537701
2-(3-chlorophenyl)-3-(2-methoxyphenoxy)propanoic acid
CID 117243365
1,5-bis(2-methoxyphenoxy)-2,4-bis(4-methoxyphenyl)pentan-3-one
CID 150588939
2-acetamido-3-(2-methoxyphenoxy)propanoic acid
CID 65443160
(2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid
CID 42051191
3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 82094741
2-(2-methoxyphenyl)-5-(methylamino)-5-oxopentanoic acid
CID 112516272
3-(2-butoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83954492
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
3-(4-tert-butylphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 82095196
2-(2-ethoxyphenyl)butanedioic acid
CID 112508431

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid?
The IUPAC name of 3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid (CID 117244346) is 3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid is COc1ccccc1OCC(C(=O)O)c1ccccc1OC.
What is the InChIKey of 3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid?
The InChIKey is YDFMRNLARNELDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-20-14-8-4-3-7-12(14)13(17(18)19)11-22-16-10-6-5-9-15(16)21-2/h3-10,13H,11H2,1-2H3,(H,18,19).
What are the key properties of 3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid?
3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid has a molecular weight of 302.33 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 117244346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).