3-hydroxy-2-propan-2-yl-3-(4-propan-2-ylphenyl)butanoic acid

C16H24O3 — CID 62396641

IUPAC3-hydroxy-2-propan-2-yl-3-(4-propan-2-ylphenyl)butanoic acid
SMILESCC(C)c1ccc(C(C)(O)C(C(=O)O)C(C)C)cc1
InChIInChI=1S/C16H24O3/c1-10(2)12-6-8-13(9-7-12)16(5,19)14(11(3)4)15(17)18/h6-11,14,19H,1-5H3,(H,17,18)
InChIKeyXYNZOOBARSKZOO-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.37
Rot. Bonds5

About 3-hydroxy-2-propan-2-yl-3-(4-propan-2-ylphenyl)butanoic acid

3-hydroxy-2-propan-2-yl-3-(4-propan-2-ylphenyl)butanoic acid (PubChem CID 62396641) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-hydroxy-2-propan-2-yl-3-(4-propan-2-ylphenyl)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-propan-2-yl-3-(4-propan-2-ylphenyl)butanoic acid
PubChem CID62396641
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name3-hydroxy-2-propan-2-yl-3-(4-propan-2-ylphenyl)butanoic acid
SMILESCC(C)c1ccc(C(C)(O)C(C(=O)O)C(C)C)cc1
InChIInChI=1S/C16H24O3/c1-10(2)12-6-8-13(9-7-12)16(5,19)14(11(3)4)15(17)18/h6-11,14,19H,1-5H3,(H,17,18)
InChIKeyXYNZOOBARSKZOO-UHFFFAOYSA-N
XLogP3.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(4-propan-2-ylphenyl)butan-2-ol
CID 62800591
3-hydroxy-2-propan-2-yl-3-[3-(trifluoromethyl)phenyl]butanoic acid
CID 62397829
2-hydroxy-2-(4-propan-2-ylphenyl)propanoic acid
CID 19855513
3-hydroxy-3-(3-hydroxyphenyl)-2-propan-2-ylbutanoic acid
CID 62398430
2-(4-propan-2-ylphenyl)propan-2-ol
CID 18935
3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoic acid
CID 62396227
2-(4-propan-2-ylphenyl)propan-2-ylcarbamic acid
CID 154135405
3-(2,6-difluorophenyl)-3-hydroxy-2-propan-2-ylbutanoic acid
CID 62397035
3-(2,5-dimethylphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid
CID 62399045
methyl 3-hydroxy-3-(4-methoxyphenyl)-2-propan-2-ylbutanoate
CID 62395794
4,4-difluoro-2,2-dimethyl-4-(4-propan-2-ylphenyl)butanoic acid
CID 65297789
2-(4-tert-butylphenyl)-2-hydroxyacetic acid
CID 20532744

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-propan-2-yl-3-(4-propan-2-ylphenyl)butanoic acid?
The IUPAC name of 3-hydroxy-2-propan-2-yl-3-(4-propan-2-ylphenyl)butanoic acid (CID 62396641) is 3-hydroxy-2-propan-2-yl-3-(4-propan-2-ylphenyl)butanoic acid.
What is the SMILES notation for 3-hydroxy-2-propan-2-yl-3-(4-propan-2-ylphenyl)butanoic acid?
The canonical SMILES for 3-hydroxy-2-propan-2-yl-3-(4-propan-2-ylphenyl)butanoic acid is CC(C)c1ccc(C(C)(O)C(C(=O)O)C(C)C)cc1.
What is the InChIKey of 3-hydroxy-2-propan-2-yl-3-(4-propan-2-ylphenyl)butanoic acid?
The InChIKey is XYNZOOBARSKZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-10(2)12-6-8-13(9-7-12)16(5,19)14(11(3)4)15(17)18/h6-11,14,19H,1-5H3,(H,17,18).
What are the key properties of 3-hydroxy-2-propan-2-yl-3-(4-propan-2-ylphenyl)butanoic acid?
3-hydroxy-2-propan-2-yl-3-(4-propan-2-ylphenyl)butanoic acid has a molecular weight of 264.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-propan-2-yl-3-(4-propan-2-ylphenyl)butanoic acid is sourced from PubChem (CID 62396641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).