2-hydroxy-2-methyl-4-oxo-3-phenylpentanoic acid

C12H14O4 — CID 134892401

IUPAC2-hydroxy-2-methyl-4-oxo-3-phenylpentanoic acid
SMILESCC(=O)C(c1ccccc1)C(C)(O)C(=O)O
InChIInChI=1S/C12H14O4/c1-8(13)10(12(2,16)11(14)15)9-6-4-3-5-7-9/h3-7,10,16H,1-2H3,(H,14,15)
InChIKeyRHMWGZLMJKLOBX-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.19
Rot. Bonds4

About 2-hydroxy-2-methyl-4-oxo-3-phenylpentanoic acid

2-hydroxy-2-methyl-4-oxo-3-phenylpentanoic acid (PubChem CID 134892401) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-4-oxo-3-phenylpentanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-4-oxo-3-phenylpentanoic acid
PubChem CID134892401
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name2-hydroxy-2-methyl-4-oxo-3-phenylpentanoic acid
SMILESCC(=O)C(c1ccccc1)C(C)(O)C(=O)O
InChIInChI=1S/C12H14O4/c1-8(13)10(12(2,16)11(14)15)9-6-4-3-5-7-9/h3-7,10,16H,1-2H3,(H,14,15)
InChIKeyRHMWGZLMJKLOBX-UHFFFAOYSA-N
XLogP1.19
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2,3-dimethyl-4,4-diphenylbutanoic acid
CID 79304394
(2R)-3-hydroxy-3-methyl-2-phenylbutanoic acid
CID 10559714
3,4-dihydroxy-3-methyl-4-phenylbutan-2-one
CID 15758929
3,3-dichloro-2-phenylbutanoic acid
CID 22472453
2-phenylethane-1,1,1,2-tetracarboxylic acid
CID 69124313
1-chloro-4-hydroxy-4-methyl-3-phenylpentan-2-one
CID 141465013
3,3-dimethyl-5-oxo-2-phenylhexanoic acid
CID 54456459
3-amino-3-methyl-2-phenylbutanoic acid;hydrochloride
CID 70199608
4,6-dihydroxy-2,4,6,8-tetramethyl-3,7-diphenylnonan-5-one
CID 141291359
1-iodo-1-phenylpropan-2-one
CID 11322912
2,3-dihydroxy-2-methyl-4-phenylbutanoic acid
CID 77254762
3-methyl-3-(methylamino)-2-phenylbutanoic acid;hydrochloride
CID 70203026

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-4-oxo-3-phenylpentanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-4-oxo-3-phenylpentanoic acid (CID 134892401) is 2-hydroxy-2-methyl-4-oxo-3-phenylpentanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-4-oxo-3-phenylpentanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-4-oxo-3-phenylpentanoic acid is CC(=O)C(c1ccccc1)C(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-4-oxo-3-phenylpentanoic acid?
The InChIKey is RHMWGZLMJKLOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-8(13)10(12(2,16)11(14)15)9-6-4-3-5-7-9/h3-7,10,16H,1-2H3,(H,14,15).
What are the key properties of 2-hydroxy-2-methyl-4-oxo-3-phenylpentanoic acid?
2-hydroxy-2-methyl-4-oxo-3-phenylpentanoic acid has a molecular weight of 222.24 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-4-oxo-3-phenylpentanoic acid is sourced from PubChem (CID 134892401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).