2-methyl-2-[4-(2-oxoethyl)phenyl]propanoic acid

C12H14O3 — CID 141497215

IUPAC2-methyl-2-[4-(2-oxoethyl)phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccc(CC=O)cc1
InChIInChI=1S/C12H14O3/c1-12(2,11(14)15)10-5-3-9(4-6-10)7-8-13/h3-6,8H,7H2,1-2H3,(H,14,15)
InChIKeyJYZMRUMDQZKTDM-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.79
Rot. Bonds4

About 2-methyl-2-[4-(2-oxoethyl)phenyl]propanoic acid

2-methyl-2-[4-(2-oxoethyl)phenyl]propanoic acid (PubChem CID 141497215) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-methyl-2-[4-(2-oxoethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-(2-oxoethyl)phenyl]propanoic acid
PubChem CID141497215
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-methyl-2-[4-(2-oxoethyl)phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccc(CC=O)cc1
InChIInChI=1S/C12H14O3/c1-12(2,11(14)15)10-5-3-9(4-6-10)7-8-13/h3-6,8H,7H2,1-2H3,(H,14,15)
InChIKeyJYZMRUMDQZKTDM-UHFFFAOYSA-N
XLogP1.79
TPSA54.37 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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl 2-methyl-2-[4-(2-oxoethyl)phenyl]propanoate
CID 141497219
ethane;2-[4-(2-oxoethyl)phenyl]acetaldehyde
CID 90946532
tert-butyl 2-[4-(2-oxoethyl)phenyl]acetate
CID 159057903
2-[4-[4-(2-carboxypropan-2-yl)phenyl]iodanuidylphenyl]-2-methylpropanoic acid
CID 140670155
2-[4-(3-chloroprop-1-enyl)phenyl]-2-methylpropanoic acid
CID 169478108
magnesium;hydride;2-methyl-2-phenylpropanoic acid
CID 174669783
2-[ethyl(formyl)amino]-2-(4-ethylphenyl)propanoic acid
CID 55232403
2-[4-[[4-(ethylsulfanylmethyl)benzoyl]amino]phenyl]-2-methylpropanoic acid
CID 119253809
2-[4-(4-chlorophenyl)phenyl]-2-methylpropanoic acid
CID 82039106
2-methyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]propanoic acid
CID 119253975
2-[4-[(4-bromothiophen-2-yl)methyl]phenyl]-2-methylpropanoic acid
CID 84612021
2-[4-(formamidomethyl)phenyl]-N,N,2-trimethylpropanamide
CID 143561250

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(2-oxoethyl)phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-(2-oxoethyl)phenyl]propanoic acid (CID 141497215) is 2-methyl-2-[4-(2-oxoethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-(2-oxoethyl)phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-(2-oxoethyl)phenyl]propanoic acid is CC(C)(C(=O)O)c1ccc(CC=O)cc1.
What is the InChIKey of 2-methyl-2-[4-(2-oxoethyl)phenyl]propanoic acid?
The InChIKey is JYZMRUMDQZKTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-12(2,11(14)15)10-5-3-9(4-6-10)7-8-13/h3-6,8H,7H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-2-[4-(2-oxoethyl)phenyl]propanoic acid?
2-methyl-2-[4-(2-oxoethyl)phenyl]propanoic acid has a molecular weight of 206.24 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(2-oxoethyl)phenyl]propanoic acid is sourced from PubChem (CID 141497215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).