1-methyl-4-(4-methylsulfonylphenoxy)benzene

C14H14O3S — CID 514880

IUPAC1-methyl-4-(4-methylsulfonylphenoxy)benzene
SMILESCc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C14H14O3S/c1-11-3-5-12(6-4-11)17-13-7-9-14(10-8-13)18(2,15)16/h3-10H,1-2H3
InChIKeyUHJNOSYKOLRPJA-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.19
Rot. Bonds3

About 1-methyl-4-(4-methylsulfonylphenoxy)benzene

1-methyl-4-(4-methylsulfonylphenoxy)benzene (PubChem CID 514880) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-methyl-4-(4-methylsulfonylphenoxy)benzene.

Molecular Properties

Compound Name1-methyl-4-(4-methylsulfonylphenoxy)benzene
PubChem CID514880
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name1-methyl-4-(4-methylsulfonylphenoxy)benzene
SMILESCc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C14H14O3S/c1-11-3-5-12(6-4-11)17-13-7-9-14(10-8-13)18(2,15)16/h3-10H,1-2H3
InChIKeyUHJNOSYKOLRPJA-UHFFFAOYSA-N
XLogP3.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylsulfonylphenoxy)benzene?
The IUPAC name of 1-methyl-4-(4-methylsulfonylphenoxy)benzene (CID 514880) is 1-methyl-4-(4-methylsulfonylphenoxy)benzene.
What is the SMILES notation for 1-methyl-4-(4-methylsulfonylphenoxy)benzene?
The canonical SMILES for 1-methyl-4-(4-methylsulfonylphenoxy)benzene is Cc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 1-methyl-4-(4-methylsulfonylphenoxy)benzene?
The InChIKey is UHJNOSYKOLRPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-11-3-5-12(6-4-11)17-13-7-9-14(10-8-13)18(2,15)16/h3-10H,1-2H3.
What are the key properties of 1-methyl-4-(4-methylsulfonylphenoxy)benzene?
1-methyl-4-(4-methylsulfonylphenoxy)benzene has a molecular weight of 262.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylsulfonylphenoxy)benzene is sourced from PubChem (CID 514880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).