3-hydroxy-2,2-dimethyl-3-phenylbutanoic acid

C12H16O3 — CID 12570468

IUPAC3-hydroxy-2,2-dimethyl-3-phenylbutanoic acid
SMILESCC(C)(C(=O)O)C(C)(O)c1ccccc1
InChIInChI=1S/C12H16O3/c1-11(2,10(13)14)12(3,15)9-7-5-4-6-8-9/h4-8,15H,1-3H3,(H,13,14)
InChIKeyHJIOPNHKHRXNLU-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.00
Rot. Bonds3

About 3-hydroxy-2,2-dimethyl-3-phenylbutanoic acid

3-hydroxy-2,2-dimethyl-3-phenylbutanoic acid (PubChem CID 12570468) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-hydroxy-2,2-dimethyl-3-phenylbutanoic acid.

Molecular Properties

Compound Name3-hydroxy-2,2-dimethyl-3-phenylbutanoic acid
PubChem CID12570468
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name3-hydroxy-2,2-dimethyl-3-phenylbutanoic acid
SMILESCC(C)(C(=O)O)C(C)(O)c1ccccc1
InChIInChI=1S/C12H16O3/c1-11(2,10(13)14)12(3,15)9-7-5-4-6-8-9/h4-8,15H,1-3H3,(H,13,14)
InChIKeyHJIOPNHKHRXNLU-UHFFFAOYSA-N
XLogP2.00
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-2,2-dimethyl-4-oxo-3-phenylpentanoic acid
CID 57038280
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
3,3,4-trimethyl-2-phenylpent-4-en-2-ol
CID 101413424
3-hydroxy-2,2-dimethyl-3-(4-propan-2-yloxyphenyl)butanoic acid
CID 55071473
2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid
CID 70572731
CID 161419410
CID 161419410
(2R,3R)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336799
(2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336800
3-hydroxy-2,2-dimethyl-3,5-diphenylpent-4-ynoic acid
CID 102106699
magnesium;hydride;2-methyl-2-phenylpropanoic acid
CID 174669783
4,4-dimethyl-2,3-diphenylpentane-2,3-diol
CID 174973746

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-dimethyl-3-phenylbutanoic acid?
The IUPAC name of 3-hydroxy-2,2-dimethyl-3-phenylbutanoic acid (CID 12570468) is 3-hydroxy-2,2-dimethyl-3-phenylbutanoic acid.
What is the SMILES notation for 3-hydroxy-2,2-dimethyl-3-phenylbutanoic acid?
The canonical SMILES for 3-hydroxy-2,2-dimethyl-3-phenylbutanoic acid is CC(C)(C(=O)O)C(C)(O)c1ccccc1.
What is the InChIKey of 3-hydroxy-2,2-dimethyl-3-phenylbutanoic acid?
The InChIKey is HJIOPNHKHRXNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-11(2,10(13)14)12(3,15)9-7-5-4-6-8-9/h4-8,15H,1-3H3,(H,13,14).
What are the key properties of 3-hydroxy-2,2-dimethyl-3-phenylbutanoic acid?
3-hydroxy-2,2-dimethyl-3-phenylbutanoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2-dimethyl-3-phenylbutanoic acid is sourced from PubChem (CID 12570468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).