2-(2-methoxy-3,4,6-trimethylphenyl)-2-methyloxirane

C13H18O2 — CID 116864143

IUPAC2-(2-methoxy-3,4,6-trimethylphenyl)-2-methyloxirane
SMILESCOc1c(C)c(C)cc(C)c1C1(C)CO1
InChIInChI=1S/C13H18O2/c1-8-6-9(2)11(13(4)7-15-13)12(14-5)10(8)3/h6H,7H2,1-5H3
InChIKeyYYPQFCPNPHZTSG-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.87
Rot. Bonds2

About 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methyloxirane

2-(2-methoxy-3,4,6-trimethylphenyl)-2-methyloxirane (PubChem CID 116864143) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methyloxirane.

Molecular Properties

Compound Name2-(2-methoxy-3,4,6-trimethylphenyl)-2-methyloxirane
PubChem CID116864143
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-(2-methoxy-3,4,6-trimethylphenyl)-2-methyloxirane
SMILESCOc1c(C)c(C)cc(C)c1C1(C)CO1
InChIInChI=1S/C13H18O2/c1-8-6-9(2)11(13(4)7-15-13)12(14-5)10(8)3/h6H,7H2,1-5H3
InChIKeyYYPQFCPNPHZTSG-UHFFFAOYSA-N
XLogP2.87
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-amine
CID 116872712
[3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-yl]methanethiol
CID 116872520
1-[3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-yl]propan-2-one
CID 116873879
1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine
CID 117112931
2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpiperazine
CID 116856365
2-(3-methoxy-2,4,5-trimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 174139274
2-(4-methoxy-2,6-dimethylphenyl)-2-methyl-1,3-dioxolane
CID 83958950
1-(2,3-dimethoxy-4,5-dimethylphenyl)cyclopropan-1-amine
CID 84788006
[1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropyl]methanol
CID 116928935
2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116863758
2-(2-methoxy-N,3,4,6-tetramethylanilino)ethanol
CID 115216183
2-(1,1-difluoro-2-methylpropyl)-3-methoxy-1,4,5-trimethylbenzene
CID 116841497

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methyloxirane?
The IUPAC name of 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methyloxirane (CID 116864143) is 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methyloxirane.
What is the SMILES notation for 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methyloxirane?
The canonical SMILES for 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methyloxirane is COc1c(C)c(C)cc(C)c1C1(C)CO1.
What is the InChIKey of 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methyloxirane?
The InChIKey is YYPQFCPNPHZTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-8-6-9(2)11(13(4)7-15-13)12(14-5)10(8)3/h6H,7H2,1-5H3.
What are the key properties of 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methyloxirane?
2-(2-methoxy-3,4,6-trimethylphenyl)-2-methyloxirane has a molecular weight of 206.28 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methyloxirane is sourced from PubChem (CID 116864143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).