1-methyl-4-[(E)-1-phenylprop-1-en-2-yl]sulfonylbenzene

C16H16O2S — CID 6064240

IUPAC1-methyl-4-[(E)-1-phenylprop-1-en-2-yl]sulfonylbenzene
SMILESC/C(=C\c1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H16O2S/c1-13-8-10-16(11-9-13)19(17,18)14(2)12-15-6-4-3-5-7-15/h3-12H,1-2H3/b14-12+
InChIKeyRRPFDZMTAFNANO-WYMLVPIESA-N
MW272.37 g/mol
LogP3.83
Rot. Bonds3

About 1-methyl-4-[(E)-1-phenylprop-1-en-2-yl]sulfonylbenzene

1-methyl-4-[(E)-1-phenylprop-1-en-2-yl]sulfonylbenzene (PubChem CID 6064240) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-methyl-4-[(E)-1-phenylprop-1-en-2-yl]sulfonylbenzene.

Molecular Properties

Compound Name1-methyl-4-[(E)-1-phenylprop-1-en-2-yl]sulfonylbenzene
PubChem CID6064240
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC Name1-methyl-4-[(E)-1-phenylprop-1-en-2-yl]sulfonylbenzene
SMILESC/C(=C\c1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H16O2S/c1-13-8-10-16(11-9-13)19(17,18)14(2)12-15-6-4-3-5-7-15/h3-12H,1-2H3/b14-12+
InChIKeyRRPFDZMTAFNANO-WYMLVPIESA-N
XLogP3.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diiodomethyl p-tolyl sulfone
CID 62738
SC-57666
CID 443373
Sodium p-decylbenzenesulfonate
CID 23671430
Benzene, ((phenylmethyl)sulfonyl)-,
CID 76561
p-Tolyl sulfoxide
CID 15680
Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
Dibenzyl sulfone
CID 69282
Sulfone, allyl p-tolyl
CID 96276
Sodium p-dodecylbenzenesulfonate
CID 4289524
1-(Ethylsulfonyl)-4-methylbenzene
CID 97651
(1,1'-Biphenyl)-4-sulphonyl chloride
CID 74192

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E)-1-phenylprop-1-en-2-yl]sulfonylbenzene?
The IUPAC name of 1-methyl-4-[(E)-1-phenylprop-1-en-2-yl]sulfonylbenzene (CID 6064240) is 1-methyl-4-[(E)-1-phenylprop-1-en-2-yl]sulfonylbenzene.
What is the SMILES notation for 1-methyl-4-[(E)-1-phenylprop-1-en-2-yl]sulfonylbenzene?
The canonical SMILES for 1-methyl-4-[(E)-1-phenylprop-1-en-2-yl]sulfonylbenzene is C/C(=C\c1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(E)-1-phenylprop-1-en-2-yl]sulfonylbenzene?
The InChIKey is RRPFDZMTAFNANO-WYMLVPIESA-N. The full InChI is InChI=1S/C16H16O2S/c1-13-8-10-16(11-9-13)19(17,18)14(2)12-15-6-4-3-5-7-15/h3-12H,1-2H3/b14-12+.
What are the key properties of 1-methyl-4-[(E)-1-phenylprop-1-en-2-yl]sulfonylbenzene?
1-methyl-4-[(E)-1-phenylprop-1-en-2-yl]sulfonylbenzene has a molecular weight of 272.37 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-1-phenylprop-1-en-2-yl]sulfonylbenzene is sourced from PubChem (CID 6064240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).