2-methyl-2-[(4-methylsulfonylphenoxy)methyl]oxirane

C11H14O4S — CID 66336733

IUPAC2-methyl-2-[(4-methylsulfonylphenoxy)methyl]oxirane
SMILESCC1(COc2ccc(S(C)(=O)=O)cc2)CO1
InChIInChI=1S/C11H14O4S/c1-11(8-15-11)7-14-9-3-5-10(6-4-9)16(2,12)13/h3-6H,7-8H2,1-2H3
InChIKeyIPXBBVNRYDWSSF-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.26
Rot. Bonds4

About 2-methyl-2-[(4-methylsulfonylphenoxy)methyl]oxirane

2-methyl-2-[(4-methylsulfonylphenoxy)methyl]oxirane (PubChem CID 66336733) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-methyl-2-[(4-methylsulfonylphenoxy)methyl]oxirane.

Molecular Properties

Compound Name2-methyl-2-[(4-methylsulfonylphenoxy)methyl]oxirane
PubChem CID66336733
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name2-methyl-2-[(4-methylsulfonylphenoxy)methyl]oxirane
SMILESCC1(COc2ccc(S(C)(=O)=O)cc2)CO1
InChIInChI=1S/C11H14O4S/c1-11(8-15-11)7-14-9-3-5-10(6-4-9)16(2,12)13/h3-6H,7-8H2,1-2H3
InChIKeyIPXBBVNRYDWSSF-UHFFFAOYSA-N
XLogP1.26
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.26
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-butoxyphenoxy)methyl]-2-methyloxirane
CID 88976986
(2-methyloxiran-2-yl)methyl 4-methylbenzenesulfonate
CID 14237194
[(2R)-2-methyloxiran-2-yl]methyl 4-methylbenzenesulfonate
CID 10900803
1-[[1-(bromomethyl)cyclobutyl]methoxy]-4-methylsulfonylbenzene
CID 65008059
2-methyl-2-[[3-[(2-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane
CID 20706940
2-[[4-(2-bromophenyl)phenoxy]methyl]-2-methyloxirane
CID 21396152
2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-methyloxirane
CID 66334604
N'-hydroxy-2-[1-[(4-methylsulfonylphenoxy)methyl]cyclopropyl]ethanimidamide
CID 77070891
1-[4-[(2-methyloxiran-2-yl)methoxy]phenyl]pyrazole
CID 146146312
cis-(1R,2S)-4-[(2-methylpropylamino)methyl]-4-[(4-methylsulfonylphenoxy)methyl]cyclopentane-1,2-diol
CID 75367974
1-(5-chloropentoxy)-4-methylsulfonylbenzene
CID 43806955
4-[(cyclobutylamino)methyl]-4-[(4-methylsulfonylphenoxy)methyl]cyclopentane-1,2-diol
CID 162868910

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-methylsulfonylphenoxy)methyl]oxirane?
The IUPAC name of 2-methyl-2-[(4-methylsulfonylphenoxy)methyl]oxirane (CID 66336733) is 2-methyl-2-[(4-methylsulfonylphenoxy)methyl]oxirane.
What is the SMILES notation for 2-methyl-2-[(4-methylsulfonylphenoxy)methyl]oxirane?
The canonical SMILES for 2-methyl-2-[(4-methylsulfonylphenoxy)methyl]oxirane is CC1(COc2ccc(S(C)(=O)=O)cc2)CO1.
What is the InChIKey of 2-methyl-2-[(4-methylsulfonylphenoxy)methyl]oxirane?
The InChIKey is IPXBBVNRYDWSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4S/c1-11(8-15-11)7-14-9-3-5-10(6-4-9)16(2,12)13/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-methyl-2-[(4-methylsulfonylphenoxy)methyl]oxirane?
2-methyl-2-[(4-methylsulfonylphenoxy)methyl]oxirane has a molecular weight of 242.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4-methylsulfonylphenoxy)methyl]oxirane is sourced from PubChem (CID 66336733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).