1-methyl-4-[(R)-2-phenylethylsulfinyl]benzene

C15H16OS — CID 14025349

IUPAC1-methyl-4-[(R)-2-phenylethylsulfinyl]benzene
SMILESCc1ccc([S@](=O)CCc2ccccc2)cc1
InChIInChI=1S/C15H16OS/c1-13-7-9-15(10-8-13)17(16)12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3/t17-/m1/s1
InChIKeyBMIAWCAHQPLJKK-QGZVFWFLSA-N
MW244.36 g/mol
LogP3.35
Rot. Bonds4

About 1-methyl-4-[(R)-2-phenylethylsulfinyl]benzene

1-methyl-4-[(R)-2-phenylethylsulfinyl]benzene (PubChem CID 14025349) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-methyl-4-[(R)-2-phenylethylsulfinyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(R)-2-phenylethylsulfinyl]benzene
PubChem CID14025349
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name1-methyl-4-[(R)-2-phenylethylsulfinyl]benzene
SMILESCc1ccc([S@](=O)CCc2ccccc2)cc1
InChIInChI=1S/C15H16OS/c1-13-7-9-15(10-8-13)17(16)12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3/t17-/m1/s1
InChIKeyBMIAWCAHQPLJKK-QGZVFWFLSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-(2-phenylethylsulfinyl)benzene
CID 14025348
1-methylsulfonyl-4-[(S)-2-phenylethylsulfinyl]benzene
CID 97320202
2-methyl-4-(2-phenylethylsulfinyl)aniline
CID 81182411
1-methyl-4-[(S)-2-phenoxyethylsulfinyl]benzene
CID 40513050
(2S,3S)-2-methyl-1-(4-methylphenyl)sulfinyl-5-phenylpentan-3-ol
CID 101452810
(NE,S)-4-methyl-N-(2-phenylethylidene)benzenesulfinamide
CID 10563115
4-(3-phenylpropylsulfinyl)aniline
CID 61369035
3-(2-phenylethylsulfinyl)aniline
CID 81180374
1-fluoro-4-(4-phenylbutylsulfinyl)benzene
CID 114334866
2-methyl-6-(2-phenylethylsulfinyl)naphthalene-1,3-diol
CID 174302281
trimethyl-[2-(4-methylphenyl)sulfinylethyl]silane
CID 23729825
2-[(S)-(4-methylphenyl)sulfinyl]-1-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]ethanone
CID 51032134

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(R)-2-phenylethylsulfinyl]benzene?
The IUPAC name of 1-methyl-4-[(R)-2-phenylethylsulfinyl]benzene (CID 14025349) is 1-methyl-4-[(R)-2-phenylethylsulfinyl]benzene.
What is the SMILES notation for 1-methyl-4-[(R)-2-phenylethylsulfinyl]benzene?
The canonical SMILES for 1-methyl-4-[(R)-2-phenylethylsulfinyl]benzene is Cc1ccc([S@](=O)CCc2ccccc2)cc1.
What is the InChIKey of 1-methyl-4-[(R)-2-phenylethylsulfinyl]benzene?
The InChIKey is BMIAWCAHQPLJKK-QGZVFWFLSA-N. The full InChI is InChI=1S/C15H16OS/c1-13-7-9-15(10-8-13)17(16)12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3/t17-/m1/s1.
What are the key properties of 1-methyl-4-[(R)-2-phenylethylsulfinyl]benzene?
1-methyl-4-[(R)-2-phenylethylsulfinyl]benzene has a molecular weight of 244.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(R)-2-phenylethylsulfinyl]benzene is sourced from PubChem (CID 14025349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).