2-methoxy-3-phenylpropanoic acid

C10H12O3 — CID 10130222

IUPAC2-methoxy-3-phenylpropanoic acid
SMILESCOC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H12O3/c1-13-9(10(11)12)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,11,12)
InChIKeyVOAUBXLCHZVCPI-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.33
Rot. Bonds4

About 2-methoxy-3-phenylpropanoic acid

2-methoxy-3-phenylpropanoic acid (PubChem CID 10130222) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-methoxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-methoxy-3-phenylpropanoic acid
PubChem CID10130222
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-methoxy-3-phenylpropanoic acid
SMILESCOC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H12O3/c1-13-9(10(11)12)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,11,12)
InChIKeyVOAUBXLCHZVCPI-UHFFFAOYSA-N
XLogP1.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-phenylpropanoic acid?
The IUPAC name of 2-methoxy-3-phenylpropanoic acid (CID 10130222) is 2-methoxy-3-phenylpropanoic acid.
What is the SMILES notation for 2-methoxy-3-phenylpropanoic acid?
The canonical SMILES for 2-methoxy-3-phenylpropanoic acid is COC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-methoxy-3-phenylpropanoic acid?
The InChIKey is VOAUBXLCHZVCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-13-9(10(11)12)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,11,12).
What are the key properties of 2-methoxy-3-phenylpropanoic acid?
2-methoxy-3-phenylpropanoic acid has a molecular weight of 180.20 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-phenylpropanoic acid is sourced from PubChem (CID 10130222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).