1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene

C15H16O3S — CID 145226676

IUPAC1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene
SMILESCOc1ccc(C)cc1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H16O3S/c1-11-4-7-13(8-5-11)19(16,17)15-10-12(2)6-9-14(15)18-3/h4-10H,1-3H3
InChIKeyAFCZJHOIMGWKGP-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.14
Rot. Bonds3

About 1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene

1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene (PubChem CID 145226676) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene.

Molecular Properties

Compound Name1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene
PubChem CID145226676
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene
SMILESCOc1ccc(C)cc1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H16O3S/c1-11-4-7-13(8-5-11)19(16,17)15-10-12(2)6-9-14(15)18-3/h4-10H,1-3H3
InChIKeyAFCZJHOIMGWKGP-UHFFFAOYSA-N
XLogP3.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dimethoxy-2-(4-methoxyphenyl)sulfonylbenzene
CID 132609518
(2-methoxy-5-methylphenyl)sulfonylmethanol
CID 117036688
2-(2-methoxy-5-methylphenyl)sulfonylpropan-2-amine
CID 117036219
2-(4-fluorophenyl)sulfonyl-1,4-dimethoxybenzene
CID 132609514
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
2-dimethylphosphoryl-1-methoxy-4-(4-methylphenyl)sulfonylbenzene
CID 59266905
2,4-dimethoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]benzene
CID 90324050
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
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
phenyl 2-methoxy-5-methylbenzenesulfonate
CID 166600539

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene?
The IUPAC name of 1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene (CID 145226676) is 1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene.
What is the SMILES notation for 1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene?
The canonical SMILES for 1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene is COc1ccc(C)cc1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene?
The InChIKey is AFCZJHOIMGWKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-11-4-7-13(8-5-11)19(16,17)15-10-12(2)6-9-14(15)18-3/h4-10H,1-3H3.
What are the key properties of 1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene?
1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene has a molecular weight of 276.36 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene is sourced from PubChem (CID 145226676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).