2-(2-phenylethylsulfinyl)ethylbenzene

C16H18OS — CID 12548238

IUPAC2-(2-phenylethylsulfinyl)ethylbenzene
SMILESO=S(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C16H18OS/c17-18(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyZHZBAUMPGGBJEC-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.22
Rot. Bonds6

About 2-(2-phenylethylsulfinyl)ethylbenzene

2-(2-phenylethylsulfinyl)ethylbenzene (PubChem CID 12548238) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-(2-phenylethylsulfinyl)ethylbenzene.

Molecular Properties

Compound Name2-(2-phenylethylsulfinyl)ethylbenzene
PubChem CID12548238
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name2-(2-phenylethylsulfinyl)ethylbenzene
SMILESO=S(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C16H18OS/c17-18(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyZHZBAUMPGGBJEC-UHFFFAOYSA-N
XLogP3.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethylsulfinyl)ethylbenzene?
The IUPAC name of 2-(2-phenylethylsulfinyl)ethylbenzene (CID 12548238) is 2-(2-phenylethylsulfinyl)ethylbenzene.
What is the SMILES notation for 2-(2-phenylethylsulfinyl)ethylbenzene?
The canonical SMILES for 2-(2-phenylethylsulfinyl)ethylbenzene is O=S(CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of 2-(2-phenylethylsulfinyl)ethylbenzene?
The InChIKey is ZHZBAUMPGGBJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c17-18(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10H,11-14H2.
What are the key properties of 2-(2-phenylethylsulfinyl)ethylbenzene?
2-(2-phenylethylsulfinyl)ethylbenzene has a molecular weight of 258.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethylsulfinyl)ethylbenzene is sourced from PubChem (CID 12548238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).