2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid

C13H18O6 — CID 70572731

IUPAC2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid
SMILESCC(C)(O)C(=O)O.CC(O)(C(=O)O)c1ccccc1
InChIInChI=1S/C9H10O3.C4H8O3/c1-9(12,8(10)11)7-5-3-2-4-6-7;1-4(2,7)3(5)6/h2-6,12H,1H3,(H,10,11);7H,1-2H3,(H,5,6)
InChIKeyBFGLSVUIYKOJQN-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.82
Rot. Bonds3

About 2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid

2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid (PubChem CID 70572731) has the molecular formula C13H18O6 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid
PubChem CID70572731
Molecular FormulaC13H18O6
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Name2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid
SMILESCC(C)(O)C(=O)O.CC(O)(C(=O)O)c1ccccc1
InChIInChI=1S/C9H10O3.C4H8O3/c1-9(12,8(10)11)7-5-3-2-4-6-7;1-4(2,7)3(5)6/h2-6,12H,1H3,(H,10,11);7H,1-2H3,(H,5,6)
InChIKeyBFGLSVUIYKOJQN-UHFFFAOYSA-N
XLogP0.82
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
2-hydroxy-2-phenylacetic acid;2-hydroxy-2-phenylpropanoic acid
CID 22438373
2-hydroxy-2-(4-hydroxyphenyl)propanoic acid
CID 22056978
(2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid
CID 21123439
(2S)-2-hydroxy-2-phenylpropanoate
CID 6932633
(2S)-2-hydroxy-4,4-dimethyl-2-phenylpentan-3-one
CID 13275946
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
2-hydroxy-N,N-dimethyl-2-phenylpropanamide
CID 121216825
2-(3-benzoylphenyl)-2-hydroxypropanoic acid;ethane
CID 143590159
3-hydroxy-2,2-dimethyl-3-phenylbutanoic acid
CID 12570468
2-hydroxy-2-(4-propan-2-ylphenyl)propanoic acid
CID 19855513

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid?
The IUPAC name of 2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid (CID 70572731) is 2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid.
What is the SMILES notation for 2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid?
The canonical SMILES for 2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid is CC(C)(O)C(=O)O.CC(O)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid?
The InChIKey is BFGLSVUIYKOJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.C4H8O3/c1-9(12,8(10)11)7-5-3-2-4-6-7;1-4(2,7)3(5)6/h2-6,12H,1H3,(H,10,11);7H,1-2H3,(H,5,6).
What are the key properties of 2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid?
2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid has a molecular weight of 270.28 g/mol, XLogP of 0.82, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid is sourced from PubChem (CID 70572731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).