1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene

C20H18O3S — CID 786799

IUPAC1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene
SMILESCc1ccc(S(=O)(=O)c2ccc(Oc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C20H18O3S/c1-15-6-10-19(11-7-15)24(21,22)20-12-8-17(9-13-20)23-18-5-3-4-16(2)14-18/h3-14H,1-2H3
InChIKeyNANOASTVJZBQFP-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.93
Rot. Bonds4

About 1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene

1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene (PubChem CID 786799) has the molecular formula C20H18O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene.

Molecular Properties

Compound Name1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene
PubChem CID786799
Molecular FormulaC20H18O3S
Molecular Weight338.43 g/mol
Exact Mass338.10
IUPAC Name1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene
SMILESCc1ccc(S(=O)(=O)c2ccc(Oc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C20H18O3S/c1-15-6-10-19(11-7-15)24(21,22)20-12-8-17(9-13-20)23-18-5-3-4-16(2)14-18/h3-14H,1-2H3
InChIKeyNANOASTVJZBQFP-UHFFFAOYSA-N
XLogP4.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[3-[3-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene
CID 54209209
1-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-methylbenzene
CID 135215267
1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158013343
1-[4-[4-[4-[4-[4-[4-(3,5-dimethylphenoxy)phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]-3,5-dimethylbenzene
CID 118474119
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
CID 159470463
4-[4-(4-methylphenyl)sulfonylphenoxy]aniline
CID 6611791
4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]phenol
CID 90321363
3-(4-methylphenoxy)benzenesulfonyl chloride
CID 3840556
1,4-dimethyl-2-(4-phenoxyphenyl)sulfonylbenzene
CID 59330915
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158042386
3-[4-[4-(3-sulfanylphenoxy)phenyl]sulfonylphenoxy]benzenethiol
CID 170780586

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene?
The IUPAC name of 1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene (CID 786799) is 1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene.
What is the SMILES notation for 1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene?
The canonical SMILES for 1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene is Cc1ccc(S(=O)(=O)c2ccc(Oc3cccc(C)c3)cc2)cc1.
What is the InChIKey of 1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene?
The InChIKey is NANOASTVJZBQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3S/c1-15-6-10-19(11-7-15)24(21,22)20-12-8-17(9-13-20)23-18-5-3-4-16(2)14-18/h3-14H,1-2H3.
What are the key properties of 1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene?
1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene has a molecular weight of 338.43 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene is sourced from PubChem (CID 786799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).