2-hydroxy-2,3-dimethyl-4,4-diphenylbutanoic acid

C18H20O3 — CID 79304394

IUPAC2-hydroxy-2,3-dimethyl-4,4-diphenylbutanoic acid
SMILESCC(C(c1ccccc1)c1ccccc1)C(C)(O)C(=O)O
InChIInChI=1S/C18H20O3/c1-13(18(2,21)17(19)20)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16,21H,1-2H3,(H,19,20)
InChIKeyOCPWRNHGFXXFEL-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.29
Rot. Bonds5

About 2-hydroxy-2,3-dimethyl-4,4-diphenylbutanoic acid

2-hydroxy-2,3-dimethyl-4,4-diphenylbutanoic acid (PubChem CID 79304394) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-hydroxy-2,3-dimethyl-4,4-diphenylbutanoic acid.

Molecular Properties

Compound Name2-hydroxy-2,3-dimethyl-4,4-diphenylbutanoic acid
PubChem CID79304394
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2-hydroxy-2,3-dimethyl-4,4-diphenylbutanoic acid
SMILESCC(C(c1ccccc1)c1ccccc1)C(C)(O)C(=O)O
InChIInChI=1S/C18H20O3/c1-13(18(2,21)17(19)20)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16,21H,1-2H3,(H,19,20)
InChIKeyOCPWRNHGFXXFEL-UHFFFAOYSA-N
XLogP3.29
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-methyl-4-oxo-3-phenylpentanoic acid
CID 134892401
4,6-dihydroxy-2,4,6,8-tetramethyl-3,7-diphenylnonan-5-one
CID 141291359
3,4-dihydroxy-3-methyl-4-phenylbutan-2-one
CID 15758929
2-methylpropan-2-ol;1-phenylethanol
CID 160949043
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
2-hydroxy-2-phenylacetic acid;2-hydroxy-2-phenylpropanoic acid
CID 22438373
(2R)-3-hydroxy-3-methyl-2-phenylbutanoic acid
CID 10559714
2-amino-3-phenylbutan-2-ol
CID 68615274
2,3-dimethylbutane-2,3-diol;1-phenylethanol
CID 67631199
3-(4-fluorophenyl)-2-hydroxy-2-methylbutanoic acid
CID 79303766
2,3-dihydroxy-2-methyl-4-phenylbutanoic acid
CID 77254762
2-ethyl-2-hydroxy-3-phenylbutanoic acid
CID 79303573

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,3-dimethyl-4,4-diphenylbutanoic acid?
The IUPAC name of 2-hydroxy-2,3-dimethyl-4,4-diphenylbutanoic acid (CID 79304394) is 2-hydroxy-2,3-dimethyl-4,4-diphenylbutanoic acid.
What is the SMILES notation for 2-hydroxy-2,3-dimethyl-4,4-diphenylbutanoic acid?
The canonical SMILES for 2-hydroxy-2,3-dimethyl-4,4-diphenylbutanoic acid is CC(C(c1ccccc1)c1ccccc1)C(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2,3-dimethyl-4,4-diphenylbutanoic acid?
The InChIKey is OCPWRNHGFXXFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-13(18(2,21)17(19)20)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16,21H,1-2H3,(H,19,20).
What are the key properties of 2-hydroxy-2,3-dimethyl-4,4-diphenylbutanoic acid?
2-hydroxy-2,3-dimethyl-4,4-diphenylbutanoic acid has a molecular weight of 284.36 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,3-dimethyl-4,4-diphenylbutanoic acid is sourced from PubChem (CID 79304394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).