1-methyl-4-(2-phenylpropan-2-ylsulfinyl)benzene

C16H18OS — CID 10825129

IUPAC1-methyl-4-(2-phenylpropan-2-ylsulfinyl)benzene
SMILESCc1ccc(S(=O)C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C16H18OS/c1-13-9-11-15(12-10-13)18(17)16(2,3)14-7-5-4-6-8-14/h4-12H,1-3H3
InChIKeyVFOQEZXULYNPSZ-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.04
Rot. Bonds3

About 1-methyl-4-(2-phenylpropan-2-ylsulfinyl)benzene

1-methyl-4-(2-phenylpropan-2-ylsulfinyl)benzene (PubChem CID 10825129) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-methyl-4-(2-phenylpropan-2-ylsulfinyl)benzene.

Molecular Properties

Compound Name1-methyl-4-(2-phenylpropan-2-ylsulfinyl)benzene
PubChem CID10825129
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name1-methyl-4-(2-phenylpropan-2-ylsulfinyl)benzene
SMILESCc1ccc(S(=O)C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C16H18OS/c1-13-9-11-15(12-10-13)18(17)16(2,3)14-7-5-4-6-8-14/h4-12H,1-3H3
InChIKeyVFOQEZXULYNPSZ-UHFFFAOYSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3S)-3-[(R)-(4-methylphenyl)sulfinyl]-2-phenylbutan-2-ol
CID 11380685
2-[(R)-methylsulfinyl]propan-2-ylbenzene
CID 90451412
(R)-4-methyl-N-[(2S,3S)-3-[(R)-(4-methylphenyl)sulfinyl]-2-phenylbutan-2-yl]benzenesulfinamide
CID 11247321
(4S)-2-[2-(4-methylphenyl)sulfinylpropan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 101265562
(S)-4-methyl-N-[(1R,2R)-1-methylsulfanyl-1,2-diphenylpropan-2-yl]benzenesulfinamide
CID 25193676
1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene
CID 22957062
tris(tert-butylbenzene);ethane;toluene
CID 158234120
N-[(2S)-1-cyano-1,1-diphenylpropan-2-yl]-4-methylbenzenesulfinamide
CID 69078981
benzene;bis(1,4-xylene)
CID 159472747
1-(1-chloro-2-phenylethyl)sulfinyl-4-methylbenzene
CID 10923906
ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
CID 91610736
2-(4-methylphenyl)-1,2,2-triphenylethanone
CID 122207100

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-phenylpropan-2-ylsulfinyl)benzene?
The IUPAC name of 1-methyl-4-(2-phenylpropan-2-ylsulfinyl)benzene (CID 10825129) is 1-methyl-4-(2-phenylpropan-2-ylsulfinyl)benzene.
What is the SMILES notation for 1-methyl-4-(2-phenylpropan-2-ylsulfinyl)benzene?
The canonical SMILES for 1-methyl-4-(2-phenylpropan-2-ylsulfinyl)benzene is Cc1ccc(S(=O)C(C)(C)c2ccccc2)cc1.
What is the InChIKey of 1-methyl-4-(2-phenylpropan-2-ylsulfinyl)benzene?
The InChIKey is VFOQEZXULYNPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c1-13-9-11-15(12-10-13)18(17)16(2,3)14-7-5-4-6-8-14/h4-12H,1-3H3.
What are the key properties of 1-methyl-4-(2-phenylpropan-2-ylsulfinyl)benzene?
1-methyl-4-(2-phenylpropan-2-ylsulfinyl)benzene has a molecular weight of 258.39 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-phenylpropan-2-ylsulfinyl)benzene is sourced from PubChem (CID 10825129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).