1-methyl-2-(2-propan-2-yloxyethylsulfonyl)benzene

C12H18O3S — CID 71981822

IUPAC1-methyl-2-(2-propan-2-yloxyethylsulfonyl)benzene
SMILESCc1ccccc1S(=O)(=O)CCOC(C)C
InChIInChI=1S/C12H18O3S/c1-10(2)15-8-9-16(13,14)12-7-5-4-6-11(12)3/h4-7,10H,8-9H2,1-3H3
InChIKeyLISASODBROCEHX-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.19
Rot. Bonds5

About 1-methyl-2-(2-propan-2-yloxyethylsulfonyl)benzene

1-methyl-2-(2-propan-2-yloxyethylsulfonyl)benzene (PubChem CID 71981822) has the molecular formula C12H18O3S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-methyl-2-(2-propan-2-yloxyethylsulfonyl)benzene.

Molecular Properties

Compound Name1-methyl-2-(2-propan-2-yloxyethylsulfonyl)benzene
PubChem CID71981822
Molecular FormulaC12H18O3S
Molecular Weight242.34 g/mol
Exact Mass242.10
IUPAC Name1-methyl-2-(2-propan-2-yloxyethylsulfonyl)benzene
SMILESCc1ccccc1S(=O)(=O)CCOC(C)C
InChIInChI=1S/C12H18O3S/c1-10(2)15-8-9-16(13,14)12-7-5-4-6-11(12)3/h4-7,10H,8-9H2,1-3H3
InChIKeyLISASODBROCEHX-UHFFFAOYSA-N
XLogP2.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-propan-2-yloxyethylsulfonyl)benzene?
The IUPAC name of 1-methyl-2-(2-propan-2-yloxyethylsulfonyl)benzene (CID 71981822) is 1-methyl-2-(2-propan-2-yloxyethylsulfonyl)benzene.
What is the SMILES notation for 1-methyl-2-(2-propan-2-yloxyethylsulfonyl)benzene?
The canonical SMILES for 1-methyl-2-(2-propan-2-yloxyethylsulfonyl)benzene is Cc1ccccc1S(=O)(=O)CCOC(C)C.
What is the InChIKey of 1-methyl-2-(2-propan-2-yloxyethylsulfonyl)benzene?
The InChIKey is LISASODBROCEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3S/c1-10(2)15-8-9-16(13,14)12-7-5-4-6-11(12)3/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 1-methyl-2-(2-propan-2-yloxyethylsulfonyl)benzene?
1-methyl-2-(2-propan-2-yloxyethylsulfonyl)benzene has a molecular weight of 242.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-propan-2-yloxyethylsulfonyl)benzene is sourced from PubChem (CID 71981822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).