2-methyl-2-phenylpropanoic acid

C10H12O2 — CID 13222

IUPAC2-methyl-2-phenylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C10H12O2/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,12)
InChIKeyYYEROYLAYAVZNW-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.05
Rot. Bonds2

About 2-methyl-2-phenylpropanoic acid

2-methyl-2-phenylpropanoic acid (PubChem CID 13222) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-methyl-2-phenylpropanoic acid
PubChem CID13222
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-methyl-2-phenylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C10H12O2/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,12)
InChIKeyYYEROYLAYAVZNW-UHFFFAOYSA-N
XLogP2.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenylpropanoic acid?
The IUPAC name of 2-methyl-2-phenylpropanoic acid (CID 13222) is 2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 2-methyl-2-phenylpropanoic acid is CC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-methyl-2-phenylpropanoic acid?
The InChIKey is YYEROYLAYAVZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,12).
What are the key properties of 2-methyl-2-phenylpropanoic acid?
2-methyl-2-phenylpropanoic acid has a molecular weight of 164.20 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 13222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).