1-methylsulfonyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]benzene

C13H18O2S — CID 89302853

IUPAC1-methylsulfonyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1c(C(C)C)cccc1S(C)(=O)=O
InChIInChI=1S/C13H18O2S/c1-5-7-12-11(10(2)3)8-6-9-13(12)16(4,14)15/h5-10H,1-4H3/b7-5-
InChIKeyZKCNUWWUBWIBIP-ALCCZGGFSA-N
MW238.35 g/mol
LogP3.25
Rot. Bonds3

About 1-methylsulfonyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]benzene

1-methylsulfonyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]benzene (PubChem CID 89302853) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-methylsulfonyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]benzene.

Molecular Properties

Compound Name1-methylsulfonyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]benzene
PubChem CID89302853
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name1-methylsulfonyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1c(C(C)C)cccc1S(C)(=O)=O
InChIInChI=1S/C13H18O2S/c1-5-7-12-11(10(2)3)8-6-9-13(12)16(4,14)15/h5-10H,1-4H3/b7-5-
InChIKeyZKCNUWWUBWIBIP-ALCCZGGFSA-N
XLogP3.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]benzene?
The IUPAC name of 1-methylsulfonyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]benzene (CID 89302853) is 1-methylsulfonyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]benzene.
What is the SMILES notation for 1-methylsulfonyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]benzene?
The canonical SMILES for 1-methylsulfonyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]benzene is C/C=C\c1c(C(C)C)cccc1S(C)(=O)=O.
What is the InChIKey of 1-methylsulfonyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]benzene?
The InChIKey is ZKCNUWWUBWIBIP-ALCCZGGFSA-N. The full InChI is InChI=1S/C13H18O2S/c1-5-7-12-11(10(2)3)8-6-9-13(12)16(4,14)15/h5-10H,1-4H3/b7-5-.
What are the key properties of 1-methylsulfonyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]benzene?
1-methylsulfonyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]benzene has a molecular weight of 238.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]benzene is sourced from PubChem (CID 89302853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).