(2R)-2-(3-methoxyphenoxy)butanoate

C11H13O4- — CID 7022552

IUPAC(2R)-2-(3-methoxyphenoxy)butanoate
SMILESCC[C@@H](Oc1cccc(OC)c1)C(=O)[O-]
InChIInChI=1S/C11H14O4/c1-3-10(11(12)13)15-9-6-4-5-8(7-9)14-2/h4-7,10H,3H2,1-2H3,(H,12,13)/p-1/t10-/m1/s1
InChIKeyHIZFZJGUWJWWBZ-SNVBAGLBSA-M
MW209.22 g/mol
LogP0.60
Rot. Bonds5

About (2R)-2-(3-methoxyphenoxy)butanoate

(2R)-2-(3-methoxyphenoxy)butanoate (PubChem CID 7022552) has the molecular formula C11H13O4- and a molecular weight of 209.22 g/mol. Its IUPAC name is (2R)-2-(3-methoxyphenoxy)butanoate.

Molecular Properties

Compound Name(2R)-2-(3-methoxyphenoxy)butanoate
PubChem CID7022552
Molecular FormulaC11H13O4-
Molecular Weight209.22 g/mol
Exact Mass209.08
IUPAC Name(2R)-2-(3-methoxyphenoxy)butanoate
SMILESCC[C@@H](Oc1cccc(OC)c1)C(=O)[O-]
InChIInChI=1S/C11H14O4/c1-3-10(11(12)13)15-9-6-4-5-8(7-9)14-2/h4-7,10H,3H2,1-2H3,(H,12,13)/p-1/t10-/m1/s1
InChIKeyHIZFZJGUWJWWBZ-SNVBAGLBSA-M
XLogP0.60
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(3-methoxyphenoxy)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methoxyphenoxy)butanoate?
The IUPAC name of (2R)-2-(3-methoxyphenoxy)butanoate (CID 7022552) is (2R)-2-(3-methoxyphenoxy)butanoate.
What is the SMILES notation for (2R)-2-(3-methoxyphenoxy)butanoate?
The canonical SMILES for (2R)-2-(3-methoxyphenoxy)butanoate is CC[C@@H](Oc1cccc(OC)c1)C(=O)[O-].
What is the InChIKey of (2R)-2-(3-methoxyphenoxy)butanoate?
The InChIKey is HIZFZJGUWJWWBZ-SNVBAGLBSA-M. The full InChI is InChI=1S/C11H14O4/c1-3-10(11(12)13)15-9-6-4-5-8(7-9)14-2/h4-7,10H,3H2,1-2H3,(H,12,13)/p-1/t10-/m1/s1.
What are the key properties of (2R)-2-(3-methoxyphenoxy)butanoate?
(2R)-2-(3-methoxyphenoxy)butanoate has a molecular weight of 209.22 g/mol, XLogP of 0.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methoxyphenoxy)butanoate is sourced from PubChem (CID 7022552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).