bis(4-methylphenyl)methanone;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2,3,4,5-tetramethylcyclopenta-2,4-dien-1-one;1,4-xylene

C47H54O4S — CID 158258142

IUPACbis(4-methylphenyl)methanone;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2,3,4,5-tetramethylcyclopenta-2,4-dien-1-one;1,4-xylene
SMILESC.CC1=C(C)C(C)=C(C)C1=O.Cc1ccc(C(=O)c2ccc(C)cc2)cc1.Cc1ccc(C)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H14O.C14H14O2S.C9H12O.C8H10.CH4/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-5-6(2)8(4)9(10)7(5)3;1-7-3-5-8(2)6-4-7;/h3-10H,1-2H3;3-10H,1-2H3;1-4H3;3-6H,1-2H3;1H4
InChIKeyGHNOOEZHZBJPPB-UHFFFAOYSA-N
MW715.01 g/mol
LogP11.85
Rot. Bonds4

About bis(4-methylphenyl)methanone;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2,3,4,5-tetramethylcyclopenta-2,4-dien-1-one;1,4-xylene

bis(4-methylphenyl)methanone;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2,3,4,5-tetramethylcyclopenta-2,4-dien-1-one;1,4-xylene (PubChem CID 158258142) has the molecular formula C47H54O4S and a molecular weight of 715.01 g/mol. Its IUPAC name is bis(4-methylphenyl)methanone;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2,3,4,5-tetramethylcyclopenta-2,4-dien-1-one;1,4-xylene.

Molecular Properties

Compound Namebis(4-methylphenyl)methanone;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2,3,4,5-tetramethylcyclopenta-2,4-dien-1-one;1,4-xylene
PubChem CID158258142
Molecular FormulaC47H54O4S
Molecular Weight715.01 g/mol
Exact Mass714.37
IUPAC Namebis(4-methylphenyl)methanone;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2,3,4,5-tetramethylcyclopenta-2,4-dien-1-one;1,4-xylene
SMILESC.CC1=C(C)C(C)=C(C)C1=O.Cc1ccc(C(=O)c2ccc(C)cc2)cc1.Cc1ccc(C)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H14O.C14H14O2S.C9H12O.C8H10.CH4/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-5-6(2)8(4)9(10)7(5)3;1-7-3-5-8(2)6-4-7;/h3-10H,1-2H3;3-10H,1-2H3;1-4H3;3-6H,1-2H3;1H4
InChIKeyGHNOOEZHZBJPPB-UHFFFAOYSA-N
XLogP11.85
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.01
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
methane;(4-methoxyphenyl)-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]methanone;[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone
CID 158386914
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone
CID 58922237
bis(4-methylphenyl)methanone;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 159488601
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]phenyl]benzene;1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]benzene;1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]benzene
CID 161103806
[4-(benzenesulfonyl)phenyl]-phenylmethanone
CID 1040286
(4-methylphenyl)-(4-pyridazin-3-ylsulfonylphenyl)methanone
CID 70960232
[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone
CID 58021566

Frequently Asked Questions

What is the IUPAC name of bis(4-methylphenyl)methanone;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2,3,4,5-tetramethylcyclopenta-2,4-dien-1-one;1,4-xylene?
The IUPAC name of bis(4-methylphenyl)methanone;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2,3,4,5-tetramethylcyclopenta-2,4-dien-1-one;1,4-xylene (CID 158258142) is bis(4-methylphenyl)methanone;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2,3,4,5-tetramethylcyclopenta-2,4-dien-1-one;1,4-xylene.
What is the SMILES notation for bis(4-methylphenyl)methanone;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2,3,4,5-tetramethylcyclopenta-2,4-dien-1-one;1,4-xylene?
The canonical SMILES for bis(4-methylphenyl)methanone;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2,3,4,5-tetramethylcyclopenta-2,4-dien-1-one;1,4-xylene is C.CC1=C(C)C(C)=C(C)C1=O.Cc1ccc(C(=O)c2ccc(C)cc2)cc1.Cc1ccc(C)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of bis(4-methylphenyl)methanone;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2,3,4,5-tetramethylcyclopenta-2,4-dien-1-one;1,4-xylene?
The InChIKey is GHNOOEZHZBJPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O.C14H14O2S.C9H12O.C8H10.CH4/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-5-6(2)8(4)9(10)7(5)3;1-7-3-5-8(2)6-4-7;/h3-10H,1-2H3;3-10H,1-2H3;1-4H3;3-6H,1-2H3;1H4.
What are the key properties of bis(4-methylphenyl)methanone;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2,3,4,5-tetramethylcyclopenta-2,4-dien-1-one;1,4-xylene?
bis(4-methylphenyl)methanone;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2,3,4,5-tetramethylcyclopenta-2,4-dien-1-one;1,4-xylene has a molecular weight of 715.01 g/mol, XLogP of 11.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylphenyl)methanone;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2,3,4,5-tetramethylcyclopenta-2,4-dien-1-one;1,4-xylene is sourced from PubChem (CID 158258142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).