1-[(S)-(4-methylphenyl)sulfinyl]-2-[(2R)-1-phenylbutan-2-yl]benzene

C23H24OS — CID 134998133

IUPAC1-[(S)-(4-methylphenyl)sulfinyl]-2-[(2R)-1-phenylbutan-2-yl]benzene
SMILESCC[C@H](Cc1ccccc1)c1ccccc1[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C23H24OS/c1-3-20(17-19-9-5-4-6-10-19)22-11-7-8-12-23(22)25(24)21-15-13-18(2)14-16-21/h4-16,20H,3,17H2,1-2H3/t20-,25+/m1/s1
InChIKeyARTSNAJHWMPDLP-NLFFAJNJSA-N
MW348.51 g/mol
LogP5.90
Rot. Bonds6

About 1-[(S)-(4-methylphenyl)sulfinyl]-2-[(2R)-1-phenylbutan-2-yl]benzene

1-[(S)-(4-methylphenyl)sulfinyl]-2-[(2R)-1-phenylbutan-2-yl]benzene (PubChem CID 134998133) has the molecular formula C23H24OS and a molecular weight of 348.51 g/mol. Its IUPAC name is 1-[(S)-(4-methylphenyl)sulfinyl]-2-[(2R)-1-phenylbutan-2-yl]benzene.

Molecular Properties

Compound Name1-[(S)-(4-methylphenyl)sulfinyl]-2-[(2R)-1-phenylbutan-2-yl]benzene
PubChem CID134998133
Molecular FormulaC23H24OS
Molecular Weight348.51 g/mol
Exact Mass348.15
IUPAC Name1-[(S)-(4-methylphenyl)sulfinyl]-2-[(2R)-1-phenylbutan-2-yl]benzene
SMILESCC[C@H](Cc1ccccc1)c1ccccc1[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C23H24OS/c1-3-20(17-19-9-5-4-6-10-19)22-11-7-8-12-23(22)25(24)21-15-13-18(2)14-16-21/h4-16,20H,3,17H2,1-2H3/t20-,25+/m1/s1
InChIKeyARTSNAJHWMPDLP-NLFFAJNJSA-N
XLogP5.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.51
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-methylphenyl)sulfinyl]-2-[(2R)-1-phenylbutan-2-yl]benzene?
The IUPAC name of 1-[(S)-(4-methylphenyl)sulfinyl]-2-[(2R)-1-phenylbutan-2-yl]benzene (CID 134998133) is 1-[(S)-(4-methylphenyl)sulfinyl]-2-[(2R)-1-phenylbutan-2-yl]benzene.
What is the SMILES notation for 1-[(S)-(4-methylphenyl)sulfinyl]-2-[(2R)-1-phenylbutan-2-yl]benzene?
The canonical SMILES for 1-[(S)-(4-methylphenyl)sulfinyl]-2-[(2R)-1-phenylbutan-2-yl]benzene is CC[C@H](Cc1ccccc1)c1ccccc1[S@@](=O)c1ccc(C)cc1.
What is the InChIKey of 1-[(S)-(4-methylphenyl)sulfinyl]-2-[(2R)-1-phenylbutan-2-yl]benzene?
The InChIKey is ARTSNAJHWMPDLP-NLFFAJNJSA-N. The full InChI is InChI=1S/C23H24OS/c1-3-20(17-19-9-5-4-6-10-19)22-11-7-8-12-23(22)25(24)21-15-13-18(2)14-16-21/h4-16,20H,3,17H2,1-2H3/t20-,25+/m1/s1.
What are the key properties of 1-[(S)-(4-methylphenyl)sulfinyl]-2-[(2R)-1-phenylbutan-2-yl]benzene?
1-[(S)-(4-methylphenyl)sulfinyl]-2-[(2R)-1-phenylbutan-2-yl]benzene has a molecular weight of 348.51 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(4-methylphenyl)sulfinyl]-2-[(2R)-1-phenylbutan-2-yl]benzene is sourced from PubChem (CID 134998133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).