(3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene

C26H30O — CID 159278284

IUPAC(3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene
SMILESCc1cc(C)c(C)cc1C.Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C16H16O.C10H14/c1-11-4-7-14(8-5-11)16(17)15-9-6-12(2)13(3)10-15;1-7-5-9(3)10(4)6-8(7)2/h4-10H,1-3H3;5-6H,1-4H3
InChIKeyKYOYXUCOBZKTBC-UHFFFAOYSA-N
MW358.53 g/mol
LogP6.76
Rot. Bonds2

About (3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene

(3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene (PubChem CID 159278284) has the molecular formula C26H30O and a molecular weight of 358.53 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene
PubChem CID159278284
Molecular FormulaC26H30O
Molecular Weight358.53 g/mol
Exact Mass358.23
IUPAC Name(3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene
SMILESCc1cc(C)c(C)cc1C.Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C16H16O.C10H14/c1-11-4-7-14(8-5-11)16(17)15-9-6-12(2)13(3)10-15;1-7-5-9(3)10(4)6-8(7)2/h4-10H,1-3H3;5-6H,1-4H3
InChIKeyKYOYXUCOBZKTBC-UHFFFAOYSA-N
XLogP6.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene
CID 159619159
(3,4-dimethylphenyl)-(4-methoxy-3-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 162090190
(3,4-dimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43337407
(3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone
CID 583629
(3,4-dihydroxy-5-methylphenyl)-(4-methylphenyl)methanone
CID 129087324
(3,4-dimethylphenyl)-(3-methylphenyl)methanone;(3,4-dimethylphenyl)-(4-methylphenyl)methanone;methane;(4-methylphenyl) 3,4-dimethylbenzoate;1,2,4-trimethylbenzene
CID 157093755
(3,4-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116628415
CID 70870278
CID 70870278
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
[4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone
CID 5143805
(3,4-dimethylbenzoyl)oxy-(4-methylbenzoyl)phosphinic acid
CID 87155992

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene?
The IUPAC name of (3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene (CID 159278284) is (3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene.
What is the SMILES notation for (3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene?
The canonical SMILES for (3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene is Cc1cc(C)c(C)cc1C.Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of (3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene?
The InChIKey is KYOYXUCOBZKTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O.C10H14/c1-11-4-7-14(8-5-11)16(17)15-9-6-12(2)13(3)10-15;1-7-5-9(3)10(4)6-8(7)2/h4-10H,1-3H3;5-6H,1-4H3.
What are the key properties of (3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene?
(3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene has a molecular weight of 358.53 g/mol, XLogP of 6.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene is sourced from PubChem (CID 159278284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).