2,4-dimethyl-2-(2-phenylphenyl)pentan-3-one

C19H22O — CID 91096503

IUPAC2,4-dimethyl-2-(2-phenylphenyl)pentan-3-one
SMILESCC(C)C(=O)C(C)(C)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H22O/c1-14(2)18(20)19(3,4)17-13-9-8-12-16(17)15-10-6-5-7-11-15/h5-14H,1-4H3
InChIKeyUBKYKTCJOFFTQI-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.86
Rot. Bonds4

About 2,4-dimethyl-2-(2-phenylphenyl)pentan-3-one

2,4-dimethyl-2-(2-phenylphenyl)pentan-3-one (PubChem CID 91096503) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 2,4-dimethyl-2-(2-phenylphenyl)pentan-3-one.

Molecular Properties

Compound Name2,4-dimethyl-2-(2-phenylphenyl)pentan-3-one
PubChem CID91096503
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name2,4-dimethyl-2-(2-phenylphenyl)pentan-3-one
SMILESCC(C)C(=O)C(C)(C)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H22O/c1-14(2)18(20)19(3,4)17-13-9-8-12-16(17)15-10-6-5-7-11-15/h5-14H,1-4H3
InChIKeyUBKYKTCJOFFTQI-UHFFFAOYSA-N
XLogP4.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-hydroxy-2-methylidene-3-(2-phenylphenyl)butanoic acid
CID 175058303
1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 141150554
1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene
CID 141427914
2-[2-(3-methoxyphenyl)phenyl]-2-methylpropanoic acid
CID 39232932
carbonic acid;1-(2-methylpropyl)-2-phenylbenzene
CID 157367920
2-methyl-2-(3-phenyl-4-pyridinyl)propanoic acid
CID 115008847
2-methyl-2-(2-phenylphenyl)propanenitrile
CID 151853688
S-(2,6-diphenylphenyl) 2,3,3-trimethylbutanethioate
CID 144561383
bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid
CID 70214547
1-tert-butyl-2-(4-propan-2-ylphenyl)benzene
CID 58258601
2-methyl-2-[3-methyl-2-(2-methylpropanoyl)-4-phenylcinnolin-1-yl]propanoic acid
CID 44668615
benzoic acid;1-ethyl-2-phenylbenzene
CID 66846233

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(2-phenylphenyl)pentan-3-one?
The IUPAC name of 2,4-dimethyl-2-(2-phenylphenyl)pentan-3-one (CID 91096503) is 2,4-dimethyl-2-(2-phenylphenyl)pentan-3-one.
What is the SMILES notation for 2,4-dimethyl-2-(2-phenylphenyl)pentan-3-one?
The canonical SMILES for 2,4-dimethyl-2-(2-phenylphenyl)pentan-3-one is CC(C)C(=O)C(C)(C)c1ccccc1-c1ccccc1.
What is the InChIKey of 2,4-dimethyl-2-(2-phenylphenyl)pentan-3-one?
The InChIKey is UBKYKTCJOFFTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-14(2)18(20)19(3,4)17-13-9-8-12-16(17)15-10-6-5-7-11-15/h5-14H,1-4H3.
What are the key properties of 2,4-dimethyl-2-(2-phenylphenyl)pentan-3-one?
2,4-dimethyl-2-(2-phenylphenyl)pentan-3-one has a molecular weight of 266.38 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(2-phenylphenyl)pentan-3-one is sourced from PubChem (CID 91096503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).