methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene

C15H18O3S — CID 157486771

IUPACmethanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
SMILESCO.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C14H14O2S.CH4O/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-2/h3-10H,1-2H3;2H,1H3
InChIKeyBWUQUWDTNLCYDI-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.74
Rot. Bonds2

About methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene

methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene (PubChem CID 157486771) has the molecular formula C15H18O3S and a molecular weight of 278.37 g/mol. Its IUPAC name is methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene.

Molecular Properties

Compound Namemethanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
PubChem CID157486771
Molecular FormulaC15H18O3S
Molecular Weight278.37 g/mol
Exact Mass278.10
IUPAC Namemethanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
SMILESCO.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C14H14O2S.CH4O/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-2/h3-10H,1-2H3;2H,1H3
InChIKeyBWUQUWDTNLCYDI-UHFFFAOYSA-N
XLogP2.74
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
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
1-(4-bromophenyl)sulfonyl-4-methylbenzene
CID 11426909
bis(4-(4-methylphenyl)sulfonylphenol);molecular hydrogen;hydrochloride
CID 160552688
1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene
CID 10972270
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
methanol;4-methylbenzenesulfonic acid;nickel
CID 162157785
1,3-bis(benzenesulfonyl)-5-(4-methylphenyl)sulfonylbenzene
CID 147906437

Frequently Asked Questions

What is the IUPAC name of methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene?
The IUPAC name of methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene (CID 157486771) is methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene.
What is the SMILES notation for methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene?
The canonical SMILES for methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene is CO.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene?
The InChIKey is BWUQUWDTNLCYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S.CH4O/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-2/h3-10H,1-2H3;2H,1H3.
What are the key properties of methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene?
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene has a molecular weight of 278.37 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene is sourced from PubChem (CID 157486771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).