2-(3-methoxyphenyl)-2-methylpropanoic acid

C11H14O3 — CID 10821634

IUPAC2-(3-methoxyphenyl)-2-methylpropanoic acid
SMILESCOc1cccc(C(C)(C)C(=O)O)c1
InChIInChI=1S/C11H14O3/c1-11(2,10(12)13)8-5-4-6-9(7-8)14-3/h4-7H,1-3H3,(H,12,13)
InChIKeyAJBGTOYTKPVUPX-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.06
Rot. Bonds3

About 2-(3-methoxyphenyl)-2-methylpropanoic acid

2-(3-methoxyphenyl)-2-methylpropanoic acid (PubChem CID 10821634) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-2-methylpropanoic acid
PubChem CID10821634
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-(3-methoxyphenyl)-2-methylpropanoic acid
SMILESCOc1cccc(C(C)(C)C(=O)O)c1
InChIInChI=1S/C11H14O3/c1-11(2,10(12)13)8-5-4-6-9(7-8)14-3/h4-7H,1-3H3,(H,12,13)
InChIKeyAJBGTOYTKPVUPX-UHFFFAOYSA-N
XLogP2.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-2-methylpropanoic acid?
The IUPAC name of 2-(3-methoxyphenyl)-2-methylpropanoic acid (CID 10821634) is 2-(3-methoxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(3-methoxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(3-methoxyphenyl)-2-methylpropanoic acid is COc1cccc(C(C)(C)C(=O)O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-2-methylpropanoic acid?
The InChIKey is AJBGTOYTKPVUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-11(2,10(12)13)8-5-4-6-9(7-8)14-3/h4-7H,1-3H3,(H,12,13).
What are the key properties of 2-(3-methoxyphenyl)-2-methylpropanoic acid?
2-(3-methoxyphenyl)-2-methylpropanoic acid has a molecular weight of 194.23 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 10821634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).