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

C16H19O4PS — CID 59266905

IUPAC2-dimethylphosphoryl-1-methoxy-4-(4-methylphenyl)sulfonylbenzene
SMILESCOc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1P(C)(C)=O
InChIInChI=1S/C16H19O4PS/c1-12-5-7-13(8-6-12)22(18,19)14-9-10-15(20-2)16(11-14)21(3,4)17/h5-11H,1-4H3
InChIKeyZFYXSXSINGCXGC-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.08
Rot. Bonds4

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

2-dimethylphosphoryl-1-methoxy-4-(4-methylphenyl)sulfonylbenzene (PubChem CID 59266905) has the molecular formula C16H19O4PS and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-dimethylphosphoryl-1-methoxy-4-(4-methylphenyl)sulfonylbenzene.

Molecular Properties

Compound Name2-dimethylphosphoryl-1-methoxy-4-(4-methylphenyl)sulfonylbenzene
PubChem CID59266905
Molecular FormulaC16H19O4PS
Molecular Weight338.37 g/mol
Exact Mass338.07
IUPAC Name2-dimethylphosphoryl-1-methoxy-4-(4-methylphenyl)sulfonylbenzene
SMILESCOc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1P(C)(C)=O
InChIInChI=1S/C16H19O4PS/c1-12-5-7-13(8-6-12)22(18,19)14-9-10-15(20-2)16(11-14)21(3,4)17/h5-11H,1-4H3
InChIKeyZFYXSXSINGCXGC-UHFFFAOYSA-N
XLogP3.08
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene
CID 145226676
2,4-dimethoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]benzene
CID 90324050
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methoxy-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2-methoxy-6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158339825
2-methoxy-5-[4-(4-methylphenyl)sulfonylphenoxy]benzoic acid
CID 130396430
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
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-(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
2-fluoro-6-(4-methylphenyl)sulfonylnaphthalene
CID 11324042

Frequently Asked Questions

What is the IUPAC name of 2-dimethylphosphoryl-1-methoxy-4-(4-methylphenyl)sulfonylbenzene?
The IUPAC name of 2-dimethylphosphoryl-1-methoxy-4-(4-methylphenyl)sulfonylbenzene (CID 59266905) is 2-dimethylphosphoryl-1-methoxy-4-(4-methylphenyl)sulfonylbenzene.
What is the SMILES notation for 2-dimethylphosphoryl-1-methoxy-4-(4-methylphenyl)sulfonylbenzene?
The canonical SMILES for 2-dimethylphosphoryl-1-methoxy-4-(4-methylphenyl)sulfonylbenzene is COc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1P(C)(C)=O.
What is the InChIKey of 2-dimethylphosphoryl-1-methoxy-4-(4-methylphenyl)sulfonylbenzene?
The InChIKey is ZFYXSXSINGCXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O4PS/c1-12-5-7-13(8-6-12)22(18,19)14-9-10-15(20-2)16(11-14)21(3,4)17/h5-11H,1-4H3.
What are the key properties of 2-dimethylphosphoryl-1-methoxy-4-(4-methylphenyl)sulfonylbenzene?
2-dimethylphosphoryl-1-methoxy-4-(4-methylphenyl)sulfonylbenzene has a molecular weight of 338.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphoryl-1-methoxy-4-(4-methylphenyl)sulfonylbenzene is sourced from PubChem (CID 59266905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).