2-[(4-tert-butylphenyl)methyl]-2,3-dimethylbutanoic acid

C17H26O2 — CID 83148534

IUPAC2-[(4-tert-butylphenyl)methyl]-2,3-dimethylbutanoic acid
SMILESCC(C)C(C)(Cc1ccc(C(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C17H26O2/c1-12(2)17(6,15(18)19)11-13-7-9-14(10-8-13)16(3,4)5/h7-10,12H,11H2,1-6H3,(H,18,19)
InChIKeyMFRCZKPGPYYFQN-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.27
Rot. Bonds4

About 2-[(4-tert-butylphenyl)methyl]-2,3-dimethylbutanoic acid

2-[(4-tert-butylphenyl)methyl]-2,3-dimethylbutanoic acid (PubChem CID 83148534) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methyl]-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methyl]-2,3-dimethylbutanoic acid
PubChem CID83148534
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-[(4-tert-butylphenyl)methyl]-2,3-dimethylbutanoic acid
SMILESCC(C)C(C)(Cc1ccc(C(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C17H26O2/c1-12(2)17(6,15(18)19)11-13-7-9-14(10-8-13)16(3,4)5/h7-10,12H,11H2,1-6H3,(H,18,19)
InChIKeyMFRCZKPGPYYFQN-UHFFFAOYSA-N
XLogP4.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-iodophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149161
2-[(4-fluorophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149275
2-[(3,4-dichlorophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149411
2-[(3,5-dimethylphenyl)methyl]-2,3-dimethylbutanoic acid
CID 83148791
2-[(4-tert-butylphenyl)methyl]-2-ethylbutanoic acid
CID 63402911
2,3-dimethyl-2-(thiophen-3-ylmethyl)butanoic acid
CID 83148678
2-[(3-bromo-4-methoxyphenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149674
3-(4-tert-butylphenyl)-2-(dimethylamino)-2-methylpropanoic acid
CID 84747346
1-(4-tert-butylphenyl)propane-2,2-diol
CID 175500089
2-[(4-tert-butylphenyl)methylamino]propanoic acid
CID 43467143
2-bromo-3-[4-(2-bromo-2-carboxypropyl)phenyl]-2-methylpropanoic acid
CID 170340891
N-[(4-tert-butylphenyl)methyl]-2,2-diphenylacetamide
CID 2225639

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methyl]-2,3-dimethylbutanoic acid?
The IUPAC name of 2-[(4-tert-butylphenyl)methyl]-2,3-dimethylbutanoic acid (CID 83148534) is 2-[(4-tert-butylphenyl)methyl]-2,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methyl]-2,3-dimethylbutanoic acid?
The canonical SMILES for 2-[(4-tert-butylphenyl)methyl]-2,3-dimethylbutanoic acid is CC(C)C(C)(Cc1ccc(C(C)(C)C)cc1)C(=O)O.
What is the InChIKey of 2-[(4-tert-butylphenyl)methyl]-2,3-dimethylbutanoic acid?
The InChIKey is MFRCZKPGPYYFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-12(2)17(6,15(18)19)11-13-7-9-14(10-8-13)16(3,4)5/h7-10,12H,11H2,1-6H3,(H,18,19).
What are the key properties of 2-[(4-tert-butylphenyl)methyl]-2,3-dimethylbutanoic acid?
2-[(4-tert-butylphenyl)methyl]-2,3-dimethylbutanoic acid has a molecular weight of 262.39 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methyl]-2,3-dimethylbutanoic acid is sourced from PubChem (CID 83148534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).