2-methyl-4-oxo-4-(2-phenylphenyl)butanoic acid

C17H16O3 — CID 70461221

IUPAC2-methyl-4-oxo-4-(2-phenylphenyl)butanoic acid
SMILESCC(CC(=O)c1ccccc1-c1ccccc1)C(=O)O
InChIInChI=1S/C17H16O3/c1-12(17(19)20)11-16(18)15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,20)
InChIKeyLRXWDZFVRFYPGU-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.65
Rot. Bonds5

About 2-methyl-4-oxo-4-(2-phenylphenyl)butanoic acid

2-methyl-4-oxo-4-(2-phenylphenyl)butanoic acid (PubChem CID 70461221) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-methyl-4-oxo-4-(2-phenylphenyl)butanoic acid.

Molecular Properties

Compound Name2-methyl-4-oxo-4-(2-phenylphenyl)butanoic acid
PubChem CID70461221
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name2-methyl-4-oxo-4-(2-phenylphenyl)butanoic acid
SMILESCC(CC(=O)c1ccccc1-c1ccccc1)C(=O)O
InChIInChI=1S/C17H16O3/c1-12(17(19)20)11-16(18)15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,20)
InChIKeyLRXWDZFVRFYPGU-UHFFFAOYSA-N
XLogP3.65
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-methyl-6-oxo-6-(2-phenylphenyl)hexanoic acid
CID 23436479
4-(2-cyclopropylphenyl)-2-methyl-4-oxobutanoic acid
CID 79977145
2-[2,6-di(propan-2-yl)phenyl]-1-(2-phenylphenyl)ethanone
CID 176753550
2,4-dioxo-4-(2-phenylphenyl)butanoic acid
CID 23623031
3,5,5-trimethyl-1-(2-methyl-3-phenylphenyl)hexan-1-one
CID 146007423
1-[2-(4-methylphenyl)phenyl]propan-1-one
CID 67873243
acetylene;2-phenylbenzoic acid
CID 67726329
3-[3-(3-carboxybutanoyl)phenyl]benzoic acid
CID 138046644
N-[(2S)-1-amino-3-methylbutan-2-yl]-2-phenylbenzamide
CID 68724562
N-(1-hydroxy-4-methylpentan-2-yl)-2-phenylbenzamide
CID 131985605
bicyclo[3.1.0]hexa-1(6),2,4-triene;3-hydroxy-2-methylpropanoic acid
CID 175519098
1-(2-phenylphenyl)hex-5-en-1-one
CID 69047929

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxo-4-(2-phenylphenyl)butanoic acid?
The IUPAC name of 2-methyl-4-oxo-4-(2-phenylphenyl)butanoic acid (CID 70461221) is 2-methyl-4-oxo-4-(2-phenylphenyl)butanoic acid.
What is the SMILES notation for 2-methyl-4-oxo-4-(2-phenylphenyl)butanoic acid?
The canonical SMILES for 2-methyl-4-oxo-4-(2-phenylphenyl)butanoic acid is CC(CC(=O)c1ccccc1-c1ccccc1)C(=O)O.
What is the InChIKey of 2-methyl-4-oxo-4-(2-phenylphenyl)butanoic acid?
The InChIKey is LRXWDZFVRFYPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-12(17(19)20)11-16(18)15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,20).
What are the key properties of 2-methyl-4-oxo-4-(2-phenylphenyl)butanoic acid?
2-methyl-4-oxo-4-(2-phenylphenyl)butanoic acid has a molecular weight of 268.31 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxo-4-(2-phenylphenyl)butanoic acid is sourced from PubChem (CID 70461221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).