2-[(3-methoxyphenyl)methoxy]propanoic acid

C11H14O4 — CID 24697228

IUPAC2-[(3-methoxyphenyl)methoxy]propanoic acid
SMILESCOc1cccc(COC(C)C(=O)O)c1
InChIInChI=1S/C11H14O4/c1-8(11(12)13)15-7-9-4-3-5-10(6-9)14-2/h3-6,8H,7H2,1-2H3,(H,12,13)
InChIKeyXWFWSKGMKJMPHJ-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.68
Rot. Bonds5

About 2-[(3-methoxyphenyl)methoxy]propanoic acid

2-[(3-methoxyphenyl)methoxy]propanoic acid (PubChem CID 24697228) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methoxy]propanoic acid.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methoxy]propanoic acid
PubChem CID24697228
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-[(3-methoxyphenyl)methoxy]propanoic acid
SMILESCOc1cccc(COC(C)C(=O)O)c1
InChIInChI=1S/C11H14O4/c1-8(11(12)13)15-7-9-4-3-5-10(6-9)14-2/h3-6,8H,7H2,1-2H3,(H,12,13)
InChIKeyXWFWSKGMKJMPHJ-UHFFFAOYSA-N
XLogP1.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methoxy]propanoic acid?
The IUPAC name of 2-[(3-methoxyphenyl)methoxy]propanoic acid (CID 24697228) is 2-[(3-methoxyphenyl)methoxy]propanoic acid.
What is the SMILES notation for 2-[(3-methoxyphenyl)methoxy]propanoic acid?
The canonical SMILES for 2-[(3-methoxyphenyl)methoxy]propanoic acid is COc1cccc(COC(C)C(=O)O)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methoxy]propanoic acid?
The InChIKey is XWFWSKGMKJMPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-8(11(12)13)15-7-9-4-3-5-10(6-9)14-2/h3-6,8H,7H2,1-2H3,(H,12,13).
What are the key properties of 2-[(3-methoxyphenyl)methoxy]propanoic acid?
2-[(3-methoxyphenyl)methoxy]propanoic acid has a molecular weight of 210.23 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methoxy]propanoic acid is sourced from PubChem (CID 24697228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).