2,2-dimethyl-1-(2-methyl-3-phenylphenyl)butan-1-one

C19H22O — CID 146007407

IUPAC2,2-dimethyl-1-(2-methyl-3-phenylphenyl)butan-1-one
SMILESCCC(C)(C)C(=O)c1cccc(-c2ccccc2)c1C
InChIInChI=1S/C19H22O/c1-5-19(3,4)18(20)17-13-9-12-16(14(17)2)15-10-7-6-8-11-15/h6-13H,5H2,1-4H3
InChIKeyOEPXDDKNKFZUHX-UHFFFAOYSA-N
MW266.38 g/mol
LogP5.28
Rot. Bonds4

About 2,2-dimethyl-1-(2-methyl-3-phenylphenyl)butan-1-one

2,2-dimethyl-1-(2-methyl-3-phenylphenyl)butan-1-one (PubChem CID 146007407) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-methyl-3-phenylphenyl)butan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-methyl-3-phenylphenyl)butan-1-one
PubChem CID146007407
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name2,2-dimethyl-1-(2-methyl-3-phenylphenyl)butan-1-one
SMILESCCC(C)(C)C(=O)c1cccc(-c2ccccc2)c1C
InChIInChI=1S/C19H22O/c1-5-19(3,4)18(20)17-13-9-12-16(14(17)2)15-10-7-6-8-11-15/h6-13H,5H2,1-4H3
InChIKeyOEPXDDKNKFZUHX-UHFFFAOYSA-N
XLogP5.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis[2-methyl-3-(4-phenylphenyl)phenyl]methanone
CID 151132531
1-(2-ethylphenyl)-2,2-dimethylbutan-1-one
CID 146006575
N-hydroxy-2-methyl-3-phenylbenzamide
CID 54333518
3,5,5-trimethyl-1-(2-methyl-3-phenylphenyl)hexan-1-one
CID 146007423
1-(2-fluorophenyl)-2,2-dimethylbutan-1-one
CID 24724047
2,2-dichloro-1-(2-methyl-3-phenylphenyl)ethanone
CID 146007388
2-methyl-3-phenylbenzamide;2,2,2-trifluoroacetic acid
CID 67159928
[2-(2-methyl-3-phenylphenyl)-2-oxoethyl] acetate
CID 146007393
carbonic acid;1,2-dimethyl-3-phenylbenzene
CID 67785413
1-(2,2-dimethylpropyl)-2-methyl-3-phenylbenzene
CID 140963589
2,2-dimethyl-1-(8-phenylnaphthalen-1-yl)propan-1-one
CID 10755808
3-(4-ethoxycarbonylphenyl)-2-methylbenzoic acid
CID 53227860

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-methyl-3-phenylphenyl)butan-1-one?
The IUPAC name of 2,2-dimethyl-1-(2-methyl-3-phenylphenyl)butan-1-one (CID 146007407) is 2,2-dimethyl-1-(2-methyl-3-phenylphenyl)butan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(2-methyl-3-phenylphenyl)butan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(2-methyl-3-phenylphenyl)butan-1-one is CCC(C)(C)C(=O)c1cccc(-c2ccccc2)c1C.
What is the InChIKey of 2,2-dimethyl-1-(2-methyl-3-phenylphenyl)butan-1-one?
The InChIKey is OEPXDDKNKFZUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-5-19(3,4)18(20)17-13-9-12-16(14(17)2)15-10-7-6-8-11-15/h6-13H,5H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(2-methyl-3-phenylphenyl)butan-1-one?
2,2-dimethyl-1-(2-methyl-3-phenylphenyl)butan-1-one has a molecular weight of 266.38 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-methyl-3-phenylphenyl)butan-1-one is sourced from PubChem (CID 146007407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).