2,3-dimethyl-3-phenylbutanoic acid;2-methyl-2-phenylpentan-3-one

C24H32O3 — CID 159710699

IUPAC2,3-dimethyl-3-phenylbutanoic acid;2-methyl-2-phenylpentan-3-one
SMILESCC(C(=O)O)C(C)(C)c1ccccc1.CCC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C12H16O2.C12H16O/c1-9(11(13)14)12(2,3)10-7-5-4-6-8-10;1-4-11(13)12(2,3)10-8-6-5-7-9-10/h4-9H,1-3H3,(H,13,14);5-9H,4H2,1-3H3
InChIKeyMYUJVQVQBFWJFP-UHFFFAOYSA-N
MW368.52 g/mol
LogP5.63
Rot. Bonds6

About 2,3-dimethyl-3-phenylbutanoic acid;2-methyl-2-phenylpentan-3-one

2,3-dimethyl-3-phenylbutanoic acid;2-methyl-2-phenylpentan-3-one (PubChem CID 159710699) has the molecular formula C24H32O3 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2,3-dimethyl-3-phenylbutanoic acid;2-methyl-2-phenylpentan-3-one.

Molecular Properties

Compound Name2,3-dimethyl-3-phenylbutanoic acid;2-methyl-2-phenylpentan-3-one
PubChem CID159710699
Molecular FormulaC24H32O3
Molecular Weight368.52 g/mol
Exact Mass368.24
IUPAC Name2,3-dimethyl-3-phenylbutanoic acid;2-methyl-2-phenylpentan-3-one
SMILESCC(C(=O)O)C(C)(C)c1ccccc1.CCC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C12H16O2.C12H16O/c1-9(11(13)14)12(2,3)10-7-5-4-6-8-10;1-4-11(13)12(2,3)10-8-6-5-7-9-10/h4-9H,1-3H3,(H,13,14);5-9H,4H2,1-3H3
InChIKeyMYUJVQVQBFWJFP-UHFFFAOYSA-N
XLogP5.63
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethyl-3-phenylbutanoic acid;2-methyl-2-phenylpentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-diphenylpentan-3-one
CID 70793023
2-methyl-5-methylidene-2-phenylheptan-3-one
CID 66044807
(4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one
CID 13299690
2,3,3,5-tetramethyl-5-phenylhexanoic acid
CID 147319190
4-methyl-4-phenyl-1-propan-2-yloxypentan-3-one
CID 55179591
1,1-dihydroxy-1-phenylbutan-2-one
CID 162740160
(2R)-1-hydroxy-2-methyl-2-phenylpentan-3-one
CID 101403805
ethane;methanol;2-methyl-2-(4-methylphenyl)pentan-3-one
CID 143507442
2-methyl-2-phenylhex-5-yn-3-one
CID 63084664
2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide
CID 64991894
4-ethyl-4-phenylhexan-3-one
CID 63083231
5-ethyl-5-hydroxy-4-methyl-4-phenylheptan-3-one
CID 145233914

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-phenylbutanoic acid;2-methyl-2-phenylpentan-3-one?
The IUPAC name of 2,3-dimethyl-3-phenylbutanoic acid;2-methyl-2-phenylpentan-3-one (CID 159710699) is 2,3-dimethyl-3-phenylbutanoic acid;2-methyl-2-phenylpentan-3-one.
What is the SMILES notation for 2,3-dimethyl-3-phenylbutanoic acid;2-methyl-2-phenylpentan-3-one?
The canonical SMILES for 2,3-dimethyl-3-phenylbutanoic acid;2-methyl-2-phenylpentan-3-one is CC(C(=O)O)C(C)(C)c1ccccc1.CCC(=O)C(C)(C)c1ccccc1.
What is the InChIKey of 2,3-dimethyl-3-phenylbutanoic acid;2-methyl-2-phenylpentan-3-one?
The InChIKey is MYUJVQVQBFWJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2.C12H16O/c1-9(11(13)14)12(2,3)10-7-5-4-6-8-10;1-4-11(13)12(2,3)10-8-6-5-7-9-10/h4-9H,1-3H3,(H,13,14);5-9H,4H2,1-3H3.
What are the key properties of 2,3-dimethyl-3-phenylbutanoic acid;2-methyl-2-phenylpentan-3-one?
2,3-dimethyl-3-phenylbutanoic acid;2-methyl-2-phenylpentan-3-one has a molecular weight of 368.52 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-phenylbutanoic acid;2-methyl-2-phenylpentan-3-one is sourced from PubChem (CID 159710699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).