(2R,3R)-2-methyl-3-(2-phenylmethoxyethyl)-2-(phenylsulfanylmethyl)oxirane

C19H22O2S — CID 101123992

IUPAC(2R,3R)-2-methyl-3-(2-phenylmethoxyethyl)-2-(phenylsulfanylmethyl)oxirane
SMILESC[C@@]1(CSc2ccccc2)O[C@@H]1CCOCc1ccccc1
InChIInChI=1S/C19H22O2S/c1-19(15-22-17-10-6-3-7-11-17)18(21-19)12-13-20-14-16-8-4-2-5-9-16/h2-11,18H,12-15H2,1H3/t18-,19+/m1/s1
InChIKeyWSSYFGXKHBNUTJ-MOPGFXCFSA-N
MW314.45 g/mol
LogP4.54
Rot. Bonds8

About (2R,3R)-2-methyl-3-(2-phenylmethoxyethyl)-2-(phenylsulfanylmethyl)oxirane

(2R,3R)-2-methyl-3-(2-phenylmethoxyethyl)-2-(phenylsulfanylmethyl)oxirane (PubChem CID 101123992) has the molecular formula C19H22O2S and a molecular weight of 314.45 g/mol. Its IUPAC name is (2R,3R)-2-methyl-3-(2-phenylmethoxyethyl)-2-(phenylsulfanylmethyl)oxirane.

Molecular Properties

Compound Name(2R,3R)-2-methyl-3-(2-phenylmethoxyethyl)-2-(phenylsulfanylmethyl)oxirane
PubChem CID101123992
Molecular FormulaC19H22O2S
Molecular Weight314.45 g/mol
Exact Mass314.13
IUPAC Name(2R,3R)-2-methyl-3-(2-phenylmethoxyethyl)-2-(phenylsulfanylmethyl)oxirane
SMILESC[C@@]1(CSc2ccccc2)O[C@@H]1CCOCc1ccccc1
InChIInChI=1S/C19H22O2S/c1-19(15-22-17-10-6-3-7-11-17)18(21-19)12-13-20-14-16-8-4-2-5-9-16/h2-11,18H,12-15H2,1H3/t18-,19+/m1/s1
InChIKeyWSSYFGXKHBNUTJ-MOPGFXCFSA-N
XLogP4.54
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxane
CID 85248081
[(2S,3R)-3-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 121000774
2-[(4S,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]ethyl acetate
CID 71481945
(R)-[(4R,5S)-2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxolan-4-yl]-phenylmethanol
CID 46918773
(4R,5R)-4-heptyl-2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxolane
CID 56594681
3-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]propane-1,2-diol
CID 10496214
2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene
CID 158778090
(2R,3S)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]-2-methyl-2-[[(2R)-oxiran-2-yl]methyl]oxirane
CID 71606164
(1R)-1-[(4R,5R)-2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 70675862
(6S)-2,2-dimethyl-6-(3-phenylmethoxypropyl)-1,3-dioxane-4-carbonitrile
CID 11460449
(4S,5S,6S)-2,2-dimethyl-4-(2-phenylmethoxyethyl)-6-(trifluoromethyl)-1,3-dioxan-5-ol
CID 10426992
(2S,3S,4S,8S,9S,10S)-4,10-dimethyl-2,8-bis(2-phenylmethoxyethyl)-1,7-dioxaspiro[5.5]undecane-3,9-diol
CID 11799077

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-3-(2-phenylmethoxyethyl)-2-(phenylsulfanylmethyl)oxirane?
The IUPAC name of (2R,3R)-2-methyl-3-(2-phenylmethoxyethyl)-2-(phenylsulfanylmethyl)oxirane (CID 101123992) is (2R,3R)-2-methyl-3-(2-phenylmethoxyethyl)-2-(phenylsulfanylmethyl)oxirane.
What is the SMILES notation for (2R,3R)-2-methyl-3-(2-phenylmethoxyethyl)-2-(phenylsulfanylmethyl)oxirane?
The canonical SMILES for (2R,3R)-2-methyl-3-(2-phenylmethoxyethyl)-2-(phenylsulfanylmethyl)oxirane is C[C@@]1(CSc2ccccc2)O[C@@H]1CCOCc1ccccc1.
What is the InChIKey of (2R,3R)-2-methyl-3-(2-phenylmethoxyethyl)-2-(phenylsulfanylmethyl)oxirane?
The InChIKey is WSSYFGXKHBNUTJ-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H22O2S/c1-19(15-22-17-10-6-3-7-11-17)18(21-19)12-13-20-14-16-8-4-2-5-9-16/h2-11,18H,12-15H2,1H3/t18-,19+/m1/s1.
What are the key properties of (2R,3R)-2-methyl-3-(2-phenylmethoxyethyl)-2-(phenylsulfanylmethyl)oxirane?
(2R,3R)-2-methyl-3-(2-phenylmethoxyethyl)-2-(phenylsulfanylmethyl)oxirane has a molecular weight of 314.45 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-3-(2-phenylmethoxyethyl)-2-(phenylsulfanylmethyl)oxirane is sourced from PubChem (CID 101123992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).