1-methoxy-2-(2-methylsulfonylethenyl)benzene

C10H12O3S — CID 71427432

IUPAC1-methoxy-2-(2-methylsulfonylethenyl)benzene
SMILESCOc1ccccc1C=CS(C)(=O)=O
InChIInChI=1S/C10H12O3S/c1-13-10-6-4-3-5-9(10)7-8-14(2,11)12/h3-8H,1-2H3
InChIKeyVHUGVPBURJZVNR-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.71
Rot. Bonds3

About 1-methoxy-2-(2-methylsulfonylethenyl)benzene

1-methoxy-2-(2-methylsulfonylethenyl)benzene (PubChem CID 71427432) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-methoxy-2-(2-methylsulfonylethenyl)benzene.

Molecular Properties

Compound Name1-methoxy-2-(2-methylsulfonylethenyl)benzene
PubChem CID71427432
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name1-methoxy-2-(2-methylsulfonylethenyl)benzene
SMILESCOc1ccccc1C=CS(C)(=O)=O
InChIInChI=1S/C10H12O3S/c1-13-10-6-4-3-5-9(10)7-8-14(2,11)12/h3-8H,1-2H3
InChIKeyVHUGVPBURJZVNR-UHFFFAOYSA-N
XLogP1.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[(E)-3,3-dimethylbut-1-enyl]-2-methoxybenzene
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(1E,6E)-5-hydroxy-1,7-bis(2-methoxyphenyl)hepta-1,4,6-trien-3-one
CID 153275178
2-(2-methylsulfonylethenyl)benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(2-methylsulfonylethenyl)benzene?
The IUPAC name of 1-methoxy-2-(2-methylsulfonylethenyl)benzene (CID 71427432) is 1-methoxy-2-(2-methylsulfonylethenyl)benzene.
What is the SMILES notation for 1-methoxy-2-(2-methylsulfonylethenyl)benzene?
The canonical SMILES for 1-methoxy-2-(2-methylsulfonylethenyl)benzene is COc1ccccc1C=CS(C)(=O)=O.
What is the InChIKey of 1-methoxy-2-(2-methylsulfonylethenyl)benzene?
The InChIKey is VHUGVPBURJZVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c1-13-10-6-4-3-5-9(10)7-8-14(2,11)12/h3-8H,1-2H3.
What are the key properties of 1-methoxy-2-(2-methylsulfonylethenyl)benzene?
1-methoxy-2-(2-methylsulfonylethenyl)benzene has a molecular weight of 212.27 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(2-methylsulfonylethenyl)benzene is sourced from PubChem (CID 71427432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).