2-cyclopropyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid

C16H22O2 — CID 83154352

IUPAC2-cyclopropyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid
SMILESCC(C)c1ccc(CC(C)(C(=O)O)C2CC2)cc1
InChIInChI=1S/C16H22O2/c1-11(2)13-6-4-12(5-7-13)10-16(3,15(17)18)14-8-9-14/h4-7,11,14H,8-10H2,1-3H3,(H,17,18)
InChIKeyJMCRBJUFJRLGFY-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.85
Rot. Bonds5

About 2-cyclopropyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid

2-cyclopropyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid (PubChem CID 83154352) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid
PubChem CID83154352
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name2-cyclopropyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid
SMILESCC(C)c1ccc(CC(C)(C(=O)O)C2CC2)cc1
InChIInChI=1S/C16H22O2/c1-11(2)13-6-4-12(5-7-13)10-16(3,15(17)18)14-8-9-14/h4-7,11,14H,8-10H2,1-3H3,(H,17,18)
InChIKeyJMCRBJUFJRLGFY-UHFFFAOYSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 83154745
3-(cyclopropylamino)-2-methyl-3-oxo-2-[(4-propan-2-ylphenyl)methyl]propanoic acid
CID 114900279
2-hydrazinyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid
CID 82129570
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(4-propan-2-ylphenyl)propanoic acid
CID 106490120
2-cyclopropyl-3-(3-fluorophenyl)-2-methylpropanoic acid
CID 83153866
2-methyl-2-(4-propan-2-ylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid
CID 10688529
2-cyclopropyl-2-fluoro-3-(4-propan-2-ylphenyl)propan-1-amine
CID 112567251
(2S)-2-cyclopropyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide
CID 102389196
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 83150803
1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane
CID 166076943
2-methyl-2-[(4-propan-2-ylphenyl)methylsulfanyl]propanoic acid
CID 79014906
3-(2-chloro-4-methylphenyl)-2-cyclopropyl-2-methylpropanoic acid
CID 106865472

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid (CID 83154352) is 2-cyclopropyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid is CC(C)c1ccc(CC(C)(C(=O)O)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid?
The InChIKey is JMCRBJUFJRLGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-11(2)13-6-4-12(5-7-13)10-16(3,15(17)18)14-8-9-14/h4-7,11,14H,8-10H2,1-3H3,(H,17,18).
What are the key properties of 2-cyclopropyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid?
2-cyclopropyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid has a molecular weight of 246.35 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid is sourced from PubChem (CID 83154352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).