2-methyl-2-phenylbutanoic acid

C11H14O2 — CID 13234

IUPAC2-methyl-2-phenylbutanoic acid
SMILESCCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C11H14O2/c1-3-11(2,10(12)13)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,12,13)
InChIKeyIDZLDUPVMGWZLD-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.44
Rot. Bonds3

About 2-methyl-2-phenylbutanoic acid

2-methyl-2-phenylbutanoic acid (PubChem CID 13234) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-methyl-2-phenylbutanoic acid.

Molecular Properties

Compound Name2-methyl-2-phenylbutanoic acid
PubChem CID13234
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-methyl-2-phenylbutanoic acid
SMILESCCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C11H14O2/c1-3-11(2,10(12)13)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,12,13)
InChIKeyIDZLDUPVMGWZLD-UHFFFAOYSA-N
XLogP2.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenylbutanoic acid?
The IUPAC name of 2-methyl-2-phenylbutanoic acid (CID 13234) is 2-methyl-2-phenylbutanoic acid.
What is the SMILES notation for 2-methyl-2-phenylbutanoic acid?
The canonical SMILES for 2-methyl-2-phenylbutanoic acid is CCC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-methyl-2-phenylbutanoic acid?
The InChIKey is IDZLDUPVMGWZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-11(2,10(12)13)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-2-phenylbutanoic acid?
2-methyl-2-phenylbutanoic acid has a molecular weight of 178.23 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenylbutanoic acid is sourced from PubChem (CID 13234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).