3-(2-tert-butylphenoxy)-3-methylbutanoic acid

C15H22O3 — CID 82087447

IUPAC3-(2-tert-butylphenoxy)-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)Oc1ccccc1C(C)(C)C
InChIInChI=1S/C15H22O3/c1-14(2,3)11-8-6-7-9-12(11)18-15(4,5)10-13(16)17/h6-9H,10H2,1-5H3,(H,16,17)
InChIKeyIVKWFLIXDAYNEI-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.62
Rot. Bonds4

About 3-(2-tert-butylphenoxy)-3-methylbutanoic acid

3-(2-tert-butylphenoxy)-3-methylbutanoic acid (PubChem CID 82087447) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(2-tert-butylphenoxy)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(2-tert-butylphenoxy)-3-methylbutanoic acid
PubChem CID82087447
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name3-(2-tert-butylphenoxy)-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)Oc1ccccc1C(C)(C)C
InChIInChI=1S/C15H22O3/c1-14(2,3)11-8-6-7-9-12(11)18-15(4,5)10-13(16)17/h6-9H,10H2,1-5H3,(H,16,17)
InChIKeyIVKWFLIXDAYNEI-UHFFFAOYSA-N
XLogP3.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-(2-methylphenoxy)butanoic acid
CID 82077638
3-methyl-3-naphthalen-1-yloxybutanoic acid
CID 82085420
1-tert-butyl-2-(1-chloro-2-methylpropan-2-yl)oxybenzene
CID 82084597
3-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanoic acid
CID 82086855
(2-tert-butylphenyl) benzoate
CID 734595
3-(2-ethoxyphenyl)-3-methylbutanoic acid
CID 81003890
2-(2-tert-butylphenoxy)acetamide
CID 17051379
(2-tert-butylphenyl) 2-methylbutan-2-yl carbonate
CID 67161729
2-(2-tert-butylphenoxy)ethylcarbamic acid
CID 118869764
lithium 2-(2-tert-butylphenoxy)acetate
CID 19205698
3-[[2-(2-tert-butylphenoxy)acetyl]-ethylamino]propanoic acid
CID 119191723
3-(2-bromophenoxy)-3-hydroxybutanoic acid
CID 22751523

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylphenoxy)-3-methylbutanoic acid?
The IUPAC name of 3-(2-tert-butylphenoxy)-3-methylbutanoic acid (CID 82087447) is 3-(2-tert-butylphenoxy)-3-methylbutanoic acid.
What is the SMILES notation for 3-(2-tert-butylphenoxy)-3-methylbutanoic acid?
The canonical SMILES for 3-(2-tert-butylphenoxy)-3-methylbutanoic acid is CC(C)(CC(=O)O)Oc1ccccc1C(C)(C)C.
What is the InChIKey of 3-(2-tert-butylphenoxy)-3-methylbutanoic acid?
The InChIKey is IVKWFLIXDAYNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-14(2,3)11-8-6-7-9-12(11)18-15(4,5)10-13(16)17/h6-9H,10H2,1-5H3,(H,16,17).
What are the key properties of 3-(2-tert-butylphenoxy)-3-methylbutanoic acid?
3-(2-tert-butylphenoxy)-3-methylbutanoic acid has a molecular weight of 250.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylphenoxy)-3-methylbutanoic acid is sourced from PubChem (CID 82087447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).