[[(R)-2-methoxyethylsulfinyl]-phenylmethyl]benzene

C16H18O2S — CID 129383250

IUPAC[[(R)-2-methoxyethylsulfinyl]-phenylmethyl]benzene
SMILESCOCC[S@@](=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18O2S/c1-18-12-13-19(17)16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3/t19-/m1/s1
InChIKeyCOQBKMSVXBJQMJ-LJQANCHMSA-N
MW274.39 g/mol
LogP3.17
Rot. Bonds6

About [[(R)-2-methoxyethylsulfinyl]-phenylmethyl]benzene

[[(R)-2-methoxyethylsulfinyl]-phenylmethyl]benzene (PubChem CID 129383250) has the molecular formula C16H18O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is [[(R)-2-methoxyethylsulfinyl]-phenylmethyl]benzene.

Molecular Properties

Compound Name[[(R)-2-methoxyethylsulfinyl]-phenylmethyl]benzene
PubChem CID129383250
Molecular FormulaC16H18O2S
Molecular Weight274.39 g/mol
Exact Mass274.10
IUPAC Name[[(R)-2-methoxyethylsulfinyl]-phenylmethyl]benzene
SMILESCOCC[S@@](=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18O2S/c1-18-12-13-19(17)16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3/t19-/m1/s1
InChIKeyCOQBKMSVXBJQMJ-LJQANCHMSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxyethylsulfinyl)-1,2-diphenylethanamine
CID 64653091
3-(2-methoxyethylsulfinyl)-3-phenylpropanenitrile
CID 64691543
2-benzhydrylsulfinylethanamine
CID 13267785
methyl 6-[(S)-benzhydrylsulfinyl]hexanoate
CID 170567115
[[(R)-methylsulfinyl]-phenylmethyl]benzene
CID 124577636
3-(3-methoxypropylsulfinyl)-3-phenylpropanenitrile
CID 64690234
1-(2-benzhydrylsulfinylethyl)piperidine
CID 19020215
(1,6-dimethoxy-4-phenylhexan-3-yl)benzene
CID 12709498
3-benzhydrylsulfinyl-N'-hydroxypropanimidamide;hydrochloride
CID 22758898
benzhydrylsulfinylmethanesulfonamide
CID 11960122
N-ethyl-2-(3-methoxypropylsulfinyl)-1-phenylethanamine
CID 64658613
[hydroperoxy(2-methoxyethoxy)methyl]benzene
CID 10512152

Frequently Asked Questions

What is the IUPAC name of [[(R)-2-methoxyethylsulfinyl]-phenylmethyl]benzene?
The IUPAC name of [[(R)-2-methoxyethylsulfinyl]-phenylmethyl]benzene (CID 129383250) is [[(R)-2-methoxyethylsulfinyl]-phenylmethyl]benzene.
What is the SMILES notation for [[(R)-2-methoxyethylsulfinyl]-phenylmethyl]benzene?
The canonical SMILES for [[(R)-2-methoxyethylsulfinyl]-phenylmethyl]benzene is COCC[S@@](=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of [[(R)-2-methoxyethylsulfinyl]-phenylmethyl]benzene?
The InChIKey is COQBKMSVXBJQMJ-LJQANCHMSA-N. The full InChI is InChI=1S/C16H18O2S/c1-18-12-13-19(17)16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3/t19-/m1/s1.
What are the key properties of [[(R)-2-methoxyethylsulfinyl]-phenylmethyl]benzene?
[[(R)-2-methoxyethylsulfinyl]-phenylmethyl]benzene has a molecular weight of 274.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(R)-2-methoxyethylsulfinyl]-phenylmethyl]benzene is sourced from PubChem (CID 129383250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).