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

C15H16O2S — CID 747207

IUPAC1-methyl-4-(2-phenylethylsulfonyl)benzene
SMILESCc1ccc(S(=O)(=O)CCc2ccccc2)cc1
InChIInChI=1S/C15H16O2S/c1-13-7-9-15(10-8-13)18(16,17)12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyROSGPBSVJLVGSP-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.01
Rot. Bonds4

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

1-methyl-4-(2-phenylethylsulfonyl)benzene (PubChem CID 747207) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-methyl-4-(2-phenylethylsulfonyl)benzene.

Molecular Properties

Compound Name1-methyl-4-(2-phenylethylsulfonyl)benzene
PubChem CID747207
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name1-methyl-4-(2-phenylethylsulfonyl)benzene
SMILESCc1ccc(S(=O)(=O)CCc2ccccc2)cc1
InChIInChI=1S/C15H16O2S/c1-13-7-9-15(10-8-13)18(16,17)12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyROSGPBSVJLVGSP-UHFFFAOYSA-N
XLogP3.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-phenylethylsulfonyl)benzene?
The IUPAC name of 1-methyl-4-(2-phenylethylsulfonyl)benzene (CID 747207) is 1-methyl-4-(2-phenylethylsulfonyl)benzene.
What is the SMILES notation for 1-methyl-4-(2-phenylethylsulfonyl)benzene?
The canonical SMILES for 1-methyl-4-(2-phenylethylsulfonyl)benzene is Cc1ccc(S(=O)(=O)CCc2ccccc2)cc1.
What is the InChIKey of 1-methyl-4-(2-phenylethylsulfonyl)benzene?
The InChIKey is ROSGPBSVJLVGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-13-7-9-15(10-8-13)18(16,17)12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3.
What are the key properties of 1-methyl-4-(2-phenylethylsulfonyl)benzene?
1-methyl-4-(2-phenylethylsulfonyl)benzene has a molecular weight of 260.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-phenylethylsulfonyl)benzene is sourced from PubChem (CID 747207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).