(2R)-2-[(4-methylsulfonylphenyl)methoxymethyl]oxirane

C11H14O4S — CID 97180094

IUPAC(2R)-2-[(4-methylsulfonylphenyl)methoxymethyl]oxirane
SMILESCS(=O)(=O)c1ccc(COC[C@H]2CO2)cc1
InChIInChI=1S/C11H14O4S/c1-16(12,13)11-4-2-9(3-5-11)6-14-7-10-8-15-10/h2-5,10H,6-8H2,1H3/t10-/m0/s1
InChIKeySUBZYJLQLXMGOL-JTQLQIEISA-N
MW242.30 g/mol
LogP1.01
Rot. Bonds5

About (2R)-2-[(4-methylsulfonylphenyl)methoxymethyl]oxirane

(2R)-2-[(4-methylsulfonylphenyl)methoxymethyl]oxirane (PubChem CID 97180094) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is (2R)-2-[(4-methylsulfonylphenyl)methoxymethyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[(4-methylsulfonylphenyl)methoxymethyl]oxirane
PubChem CID97180094
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name(2R)-2-[(4-methylsulfonylphenyl)methoxymethyl]oxirane
SMILESCS(=O)(=O)c1ccc(COC[C@H]2CO2)cc1
InChIInChI=1S/C11H14O4S/c1-16(12,13)11-4-2-9(3-5-11)6-14-7-10-8-15-10/h2-5,10H,6-8H2,1H3/t10-/m0/s1
InChIKeySUBZYJLQLXMGOL-JTQLQIEISA-N
XLogP1.01
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane
CID 146491565
(2R)-2-[(4-nitrophenyl)methoxymethyl]oxirane
CID 129386146
2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 86030430
2-[(4-prop-2-enylphenyl)methoxymethyl]oxirane
CID 22561280
2-(oxiran-2-ylmethoxymethyl)oxirane;oxiran-2-ylmethyl 4-methylbenzenesulfonate
CID 159519507
2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethoxymethyl)oxirane
CID 167171988
(2R)-2-(phenylmethoxymethoxymethyl)oxirane
CID 129387534
oxolane;(2R)-2-(phenylmethoxymethyl)oxirane
CID 175076963
2-[[4-(2,2,5-trimethylhexan-3-yl)phenyl]methoxymethyl]oxirane
CID 144895913
2-[[4-(2,2-dimethylhexan-3-yl)phenyl]methoxymethyl]oxirane
CID 144772257
(2R)-2-[(3-fluoro-4-methoxyphenyl)methoxymethyl]oxirane
CID 97180114
(2R,4R)-4-bromo-2-(phenylmethoxymethyl)oxolane
CID 11086853

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methylsulfonylphenyl)methoxymethyl]oxirane?
The IUPAC name of (2R)-2-[(4-methylsulfonylphenyl)methoxymethyl]oxirane (CID 97180094) is (2R)-2-[(4-methylsulfonylphenyl)methoxymethyl]oxirane.
What is the SMILES notation for (2R)-2-[(4-methylsulfonylphenyl)methoxymethyl]oxirane?
The canonical SMILES for (2R)-2-[(4-methylsulfonylphenyl)methoxymethyl]oxirane is CS(=O)(=O)c1ccc(COC[C@H]2CO2)cc1.
What is the InChIKey of (2R)-2-[(4-methylsulfonylphenyl)methoxymethyl]oxirane?
The InChIKey is SUBZYJLQLXMGOL-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14O4S/c1-16(12,13)11-4-2-9(3-5-11)6-14-7-10-8-15-10/h2-5,10H,6-8H2,1H3/t10-/m0/s1.
What are the key properties of (2R)-2-[(4-methylsulfonylphenyl)methoxymethyl]oxirane?
(2R)-2-[(4-methylsulfonylphenyl)methoxymethyl]oxirane has a molecular weight of 242.30 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methylsulfonylphenyl)methoxymethyl]oxirane is sourced from PubChem (CID 97180094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).