2-(4-ethoxyphenyl)-2-methylpropanoic acid

C12H16O3 — CID 11218028

IUPAC2-(4-ethoxyphenyl)-2-methylpropanoic acid
SMILESCCOc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C12H16O3/c1-4-15-10-7-5-9(6-8-10)12(2,3)11(13)14/h5-8H,4H2,1-3H3,(H,13,14)
InChIKeyLDOMMNCPNTZTQW-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.45
Rot. Bonds4

About 2-(4-ethoxyphenyl)-2-methylpropanoic acid

2-(4-ethoxyphenyl)-2-methylpropanoic acid (PubChem CID 11218028) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-2-methylpropanoic acid
PubChem CID11218028
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(4-ethoxyphenyl)-2-methylpropanoic acid
SMILESCCOc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C12H16O3/c1-4-15-10-7-5-9(6-8-10)12(2,3)11(13)14/h5-8H,4H2,1-3H3,(H,13,14)
InChIKeyLDOMMNCPNTZTQW-UHFFFAOYSA-N
XLogP2.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-2-methylpropanoic acid?
The IUPAC name of 2-(4-ethoxyphenyl)-2-methylpropanoic acid (CID 11218028) is 2-(4-ethoxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-ethoxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(4-ethoxyphenyl)-2-methylpropanoic acid is CCOc1ccc(C(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-2-methylpropanoic acid?
The InChIKey is LDOMMNCPNTZTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-4-15-10-7-5-9(6-8-10)12(2,3)11(13)14/h5-8H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-(4-ethoxyphenyl)-2-methylpropanoic acid?
2-(4-ethoxyphenyl)-2-methylpropanoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 11218028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).