1-(3,3-diphenylprop-2-enylsulfonyl)-4-methylbenzene

C22H20O2S — CID 122231055

IUPAC1-(3,3-diphenylprop-2-enylsulfonyl)-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)CC=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20O2S/c1-18-12-14-21(15-13-18)25(23,24)17-16-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16H,17H2,1H3
InChIKeyRYSAVOSDJZVJJL-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.90
Rot. Bonds5

About 1-(3,3-diphenylprop-2-enylsulfonyl)-4-methylbenzene

1-(3,3-diphenylprop-2-enylsulfonyl)-4-methylbenzene (PubChem CID 122231055) has the molecular formula C22H20O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-(3,3-diphenylprop-2-enylsulfonyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(3,3-diphenylprop-2-enylsulfonyl)-4-methylbenzene
PubChem CID122231055
Molecular FormulaC22H20O2S
Molecular Weight348.47 g/mol
Exact Mass348.12
IUPAC Name1-(3,3-diphenylprop-2-enylsulfonyl)-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)CC=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20O2S/c1-18-12-14-21(15-13-18)25(23,24)17-16-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16H,17H2,1H3
InChIKeyRYSAVOSDJZVJJL-UHFFFAOYSA-N
XLogP4.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

SC-57666
CID 443373
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
2-Naphthyl-p-tolyl sulfone
CID 518736
Etarotene
CID 6435463
Sulfone, allyl p-tolyl
CID 96276
1-(Ethylsulfonyl)-4-methylbenzene
CID 97651
P-Tolyl vinyl sulfone
CID 79665
Phenyl trans-Styryl Sulfone
CID 736143
1-Tert-butyl-4-(ethenesulfonyl)benzene
CID 879322

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylprop-2-enylsulfonyl)-4-methylbenzene?
The IUPAC name of 1-(3,3-diphenylprop-2-enylsulfonyl)-4-methylbenzene (CID 122231055) is 1-(3,3-diphenylprop-2-enylsulfonyl)-4-methylbenzene.
What is the SMILES notation for 1-(3,3-diphenylprop-2-enylsulfonyl)-4-methylbenzene?
The canonical SMILES for 1-(3,3-diphenylprop-2-enylsulfonyl)-4-methylbenzene is Cc1ccc(S(=O)(=O)CC=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(3,3-diphenylprop-2-enylsulfonyl)-4-methylbenzene?
The InChIKey is RYSAVOSDJZVJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2S/c1-18-12-14-21(15-13-18)25(23,24)17-16-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16H,17H2,1H3.
What are the key properties of 1-(3,3-diphenylprop-2-enylsulfonyl)-4-methylbenzene?
1-(3,3-diphenylprop-2-enylsulfonyl)-4-methylbenzene has a molecular weight of 348.47 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylprop-2-enylsulfonyl)-4-methylbenzene is sourced from PubChem (CID 122231055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).