2-(2-ethenylphenoxy)-2-methylpropanoic acid

C12H14O3 — CID 135013356

IUPAC2-(2-ethenylphenoxy)-2-methylpropanoic acid
SMILESC=Cc1ccccc1OC(C)(C)C(=O)O
InChIInChI=1S/C12H14O3/c1-4-9-7-5-6-8-10(9)15-12(2,3)11(13)14/h4-8H,1H2,2-3H3,(H,13,14)
InChIKeyHLISSPLCXSWODV-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.57
Rot. Bonds4

About 2-(2-ethenylphenoxy)-2-methylpropanoic acid

2-(2-ethenylphenoxy)-2-methylpropanoic acid (PubChem CID 135013356) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(2-ethenylphenoxy)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2-ethenylphenoxy)-2-methylpropanoic acid
PubChem CID135013356
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-(2-ethenylphenoxy)-2-methylpropanoic acid
SMILESC=Cc1ccccc1OC(C)(C)C(=O)O
InChIInChI=1S/C12H14O3/c1-4-9-7-5-6-8-10(9)15-12(2,3)11(13)14/h4-8H,1H2,2-3H3,(H,13,14)
InChIKeyHLISSPLCXSWODV-UHFFFAOYSA-N
XLogP2.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenylphenoxy)-2-methylpropanoic acid?
The IUPAC name of 2-(2-ethenylphenoxy)-2-methylpropanoic acid (CID 135013356) is 2-(2-ethenylphenoxy)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2-ethenylphenoxy)-2-methylpropanoic acid?
The canonical SMILES for 2-(2-ethenylphenoxy)-2-methylpropanoic acid is C=Cc1ccccc1OC(C)(C)C(=O)O.
What is the InChIKey of 2-(2-ethenylphenoxy)-2-methylpropanoic acid?
The InChIKey is HLISSPLCXSWODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-4-9-7-5-6-8-10(9)15-12(2,3)11(13)14/h4-8H,1H2,2-3H3,(H,13,14).
What are the key properties of 2-(2-ethenylphenoxy)-2-methylpropanoic acid?
2-(2-ethenylphenoxy)-2-methylpropanoic acid has a molecular weight of 206.24 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenylphenoxy)-2-methylpropanoic acid is sourced from PubChem (CID 135013356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).