1-ethyl-4-methylsulfonyl-2-[(Z)-prop-1-enyl]benzene

C12H16O2S — CID 142804852

IUPAC1-ethyl-4-methylsulfonyl-2-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1cc(S(C)(=O)=O)ccc1CC
InChIInChI=1S/C12H16O2S/c1-4-6-11-9-12(15(3,13)14)8-7-10(11)5-2/h4,6-9H,5H2,1-3H3/b6-4-
InChIKeyVYWZJDHGJXOACD-XQRVVYSFSA-N
MW224.32 g/mol
LogP2.69
Rot. Bonds3

About 1-ethyl-4-methylsulfonyl-2-[(Z)-prop-1-enyl]benzene

1-ethyl-4-methylsulfonyl-2-[(Z)-prop-1-enyl]benzene (PubChem CID 142804852) has the molecular formula C12H16O2S and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-ethyl-4-methylsulfonyl-2-[(Z)-prop-1-enyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-methylsulfonyl-2-[(Z)-prop-1-enyl]benzene
PubChem CID142804852
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
Exact Mass224.09
IUPAC Name1-ethyl-4-methylsulfonyl-2-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1cc(S(C)(=O)=O)ccc1CC
InChIInChI=1S/C12H16O2S/c1-4-6-11-9-12(15(3,13)14)8-7-10(11)5-2/h4,6-9H,5H2,1-3H3/b6-4-
InChIKeyVYWZJDHGJXOACD-XQRVVYSFSA-N
XLogP2.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(2Z,5Z)-1-bromo-5-ethylhepta-2,5-diene;N-methyl-5-methylsulfonyl-2-[(E)-prop-1-enyl]aniline
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1-ethyl-4-methylsulfonylbenzene
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylsulfonyl-2-[(Z)-prop-1-enyl]benzene?
The IUPAC name of 1-ethyl-4-methylsulfonyl-2-[(Z)-prop-1-enyl]benzene (CID 142804852) is 1-ethyl-4-methylsulfonyl-2-[(Z)-prop-1-enyl]benzene.
What is the SMILES notation for 1-ethyl-4-methylsulfonyl-2-[(Z)-prop-1-enyl]benzene?
The canonical SMILES for 1-ethyl-4-methylsulfonyl-2-[(Z)-prop-1-enyl]benzene is C/C=C\c1cc(S(C)(=O)=O)ccc1CC.
What is the InChIKey of 1-ethyl-4-methylsulfonyl-2-[(Z)-prop-1-enyl]benzene?
The InChIKey is VYWZJDHGJXOACD-XQRVVYSFSA-N. The full InChI is InChI=1S/C12H16O2S/c1-4-6-11-9-12(15(3,13)14)8-7-10(11)5-2/h4,6-9H,5H2,1-3H3/b6-4-.
What are the key properties of 1-ethyl-4-methylsulfonyl-2-[(Z)-prop-1-enyl]benzene?
1-ethyl-4-methylsulfonyl-2-[(Z)-prop-1-enyl]benzene has a molecular weight of 224.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylsulfonyl-2-[(Z)-prop-1-enyl]benzene is sourced from PubChem (CID 142804852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).