3-(2-methoxyphenoxy)propanoic acid

C10H12O4 — CID 776001

IUPAC3-(2-methoxyphenoxy)propanoic acid
SMILESCOc1ccccc1OCCC(=O)O
InChIInChI=1S/C10H12O4/c1-13-8-4-2-3-5-9(8)14-7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChIKeyTXQJIMNDEHCONN-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.55
Rot. Bonds5

About 3-(2-methoxyphenoxy)propanoic acid

3-(2-methoxyphenoxy)propanoic acid (PubChem CID 776001) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)propanoic acid.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)propanoic acid
PubChem CID776001
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name3-(2-methoxyphenoxy)propanoic acid
SMILESCOc1ccccc1OCCC(=O)O
InChIInChI=1S/C10H12O4/c1-13-8-4-2-3-5-9(8)14-7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChIKeyTXQJIMNDEHCONN-UHFFFAOYSA-N
XLogP1.55
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)propanoic acid?
The IUPAC name of 3-(2-methoxyphenoxy)propanoic acid (CID 776001) is 3-(2-methoxyphenoxy)propanoic acid.
What is the SMILES notation for 3-(2-methoxyphenoxy)propanoic acid?
The canonical SMILES for 3-(2-methoxyphenoxy)propanoic acid is COc1ccccc1OCCC(=O)O.
What is the InChIKey of 3-(2-methoxyphenoxy)propanoic acid?
The InChIKey is TXQJIMNDEHCONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-13-8-4-2-3-5-9(8)14-7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12).
What are the key properties of 3-(2-methoxyphenoxy)propanoic acid?
3-(2-methoxyphenoxy)propanoic acid has a molecular weight of 196.20 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenoxy)propanoic acid is sourced from PubChem (CID 776001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).