1-methyl-4-(2-phenoxyethylsulfonyl)benzene

C15H16O3S — CID 4678943

IUPAC1-methyl-4-(2-phenoxyethylsulfonyl)benzene
SMILESCc1ccc(S(=O)(=O)CCOc2ccccc2)cc1
InChIInChI=1S/C15H16O3S/c1-13-7-9-15(10-8-13)19(16,17)12-11-18-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyUIOLSJWGDAXBQR-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.85
Rot. Bonds5

About 1-methyl-4-(2-phenoxyethylsulfonyl)benzene

1-methyl-4-(2-phenoxyethylsulfonyl)benzene (PubChem CID 4678943) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-methyl-4-(2-phenoxyethylsulfonyl)benzene.

Molecular Properties

Compound Name1-methyl-4-(2-phenoxyethylsulfonyl)benzene
PubChem CID4678943
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name1-methyl-4-(2-phenoxyethylsulfonyl)benzene
SMILESCc1ccc(S(=O)(=O)CCOc2ccccc2)cc1
InChIInChI=1S/C15H16O3S/c1-13-7-9-15(10-8-13)19(16,17)12-11-18-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyUIOLSJWGDAXBQR-UHFFFAOYSA-N
XLogP2.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-phenoxyethylsulfonyl)benzene?
The IUPAC name of 1-methyl-4-(2-phenoxyethylsulfonyl)benzene (CID 4678943) is 1-methyl-4-(2-phenoxyethylsulfonyl)benzene.
What is the SMILES notation for 1-methyl-4-(2-phenoxyethylsulfonyl)benzene?
The canonical SMILES for 1-methyl-4-(2-phenoxyethylsulfonyl)benzene is Cc1ccc(S(=O)(=O)CCOc2ccccc2)cc1.
What is the InChIKey of 1-methyl-4-(2-phenoxyethylsulfonyl)benzene?
The InChIKey is UIOLSJWGDAXBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-13-7-9-15(10-8-13)19(16,17)12-11-18-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3.
What are the key properties of 1-methyl-4-(2-phenoxyethylsulfonyl)benzene?
1-methyl-4-(2-phenoxyethylsulfonyl)benzene has a molecular weight of 276.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-phenoxyethylsulfonyl)benzene is sourced from PubChem (CID 4678943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).