2-(2-hydroxyphenyl)-3,3-dimethylbutanoic acid

C12H16O3 — CID 83820422

IUPAC2-(2-hydroxyphenyl)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(C(=O)O)c1ccccc1O
InChIInChI=1S/C12H16O3/c1-12(2,3)10(11(14)15)8-6-4-5-7-9(8)13/h4-7,10,13H,1-3H3,(H,14,15)
InChIKeyWOQYONUAQACIHS-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.61
Rot. Bonds2

About 2-(2-hydroxyphenyl)-3,3-dimethylbutanoic acid

2-(2-hydroxyphenyl)-3,3-dimethylbutanoic acid (PubChem CID 83820422) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-3,3-dimethylbutanoic acid
PubChem CID83820422
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(2-hydroxyphenyl)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(C(=O)O)c1ccccc1O
InChIInChI=1S/C12H16O3/c1-12(2,3)10(11(14)15)8-6-4-5-7-9(8)13/h4-7,10,13H,1-3H3,(H,14,15)
InChIKeyWOQYONUAQACIHS-UHFFFAOYSA-N
XLogP2.61
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-3,3-dimethylbutanoic acid?
The IUPAC name of 2-(2-hydroxyphenyl)-3,3-dimethylbutanoic acid (CID 83820422) is 2-(2-hydroxyphenyl)-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-(2-hydroxyphenyl)-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-(2-hydroxyphenyl)-3,3-dimethylbutanoic acid is CC(C)(C)C(C(=O)O)c1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)-3,3-dimethylbutanoic acid?
The InChIKey is WOQYONUAQACIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-12(2,3)10(11(14)15)8-6-4-5-7-9(8)13/h4-7,10,13H,1-3H3,(H,14,15).
What are the key properties of 2-(2-hydroxyphenyl)-3,3-dimethylbutanoic acid?
2-(2-hydroxyphenyl)-3,3-dimethylbutanoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 83820422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).