(3,4-dimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone

C20H24O — CID 43337407

IUPAC(3,4-dimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
SMILESCc1ccc(C(=O)c2c(C)c(C)c(C)c(C)c2C)cc1C
InChIInChI=1S/C20H24O/c1-11-8-9-18(10-12(11)2)20(21)19-16(6)14(4)13(3)15(5)17(19)7/h8-10H,1-7H3
InChIKeyVTKYVKZSUADDKT-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.08
Rot. Bonds2

About (3,4-dimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone

(3,4-dimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone (PubChem CID 43337407) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
PubChem CID43337407
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name(3,4-dimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
SMILESCc1ccc(C(=O)c2c(C)c(C)c(C)c(C)c2C)cc1C
InChIInChI=1S/C20H24O/c1-11-8-9-18(10-12(11)2)20(21)19-16(6)14(4)13(3)15(5)17(19)7/h8-10H,1-7H3
InChIKeyVTKYVKZSUADDKT-UHFFFAOYSA-N
XLogP5.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene
CID 159278284
(3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone
CID 583629
2-(3,4-dimethylbenzoyl)cyclohexene-1-carboxylic acid
CID 146004410
(2,3-difluoro-4-methylphenyl)-(3,4-dimethylphenyl)methanone
CID 107515111
bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene
CID 159619159
(3,4-dimethylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103435101
(3,4-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 113222403
3,4-dimethylbenzoyl chloride;methane
CID 155746404
(4-aminophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 2776675
(3,4-dimethylphenyl)-(3-nitrophenyl)methanone
CID 3084858
(3,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81481355
(3,4-dimethylphenyl)-[3-(methylamino)phenyl]methanone
CID 116917283

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The IUPAC name of (3,4-dimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone (CID 43337407) is (3,4-dimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The canonical SMILES for (3,4-dimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone is Cc1ccc(C(=O)c2c(C)c(C)c(C)c(C)c2C)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The InChIKey is VTKYVKZSUADDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-11-8-9-18(10-12(11)2)20(21)19-16(6)14(4)13(3)15(5)17(19)7/h8-10H,1-7H3.
What are the key properties of (3,4-dimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
(3,4-dimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone has a molecular weight of 280.41 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone is sourced from PubChem (CID 43337407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).