3-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethyloxirane

C13H18O2 — CID 116864087

IUPAC3-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethyloxirane
SMILESCOc1cc(C)cc(C)c1C1OC1(C)C
InChIInChI=1S/C13H18O2/c1-8-6-9(2)11(10(7-8)14-5)12-13(3,4)15-12/h6-7,12H,1-5H3
InChIKeyJKQIXTJHDQQDHU-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.16
Rot. Bonds2

About 3-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethyloxirane

3-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethyloxirane (PubChem CID 116864087) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethyloxirane.

Molecular Properties

Compound Name3-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethyloxirane
PubChem CID116864087
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name3-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethyloxirane
SMILESCOc1cc(C)cc(C)c1C1OC1(C)C
InChIInChI=1S/C13H18O2/c1-8-6-9(2)11(10(7-8)14-5)12-13(3,4)15-12/h6-7,12H,1-5H3
InChIKeyJKQIXTJHDQQDHU-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethyloxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxy-5-methylphenyl)-2,2-dimethyloxirane
CID 116864002
(4R,5R)-2,2-dimethyl-4,5-bis(2,4,6-trimethylphenyl)-1,3-dioxolane
CID 10569042
3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine
CID 82492093
3-(2-methoxy-4,6-dimethylphenyl)-2-methylcyclopentan-1-one
CID 106681264
2,2-dimethyl-3-(2,4,5-trimethylphenyl)oxirane
CID 116864063
2-ethyl-1-methoxy-3,5-dimethylbenzene;propane
CID 170973865
1,3-dimethoxy-2,5-dimethylbenzene
CID 524839
1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-2-amine
CID 82470482
4-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclohexan-1-ol
CID 116928492
[3-[(2-methoxy-4,6-dimethylphenyl)methyl]oxetan-3-yl]methanol
CID 116930388
2-(2-methoxy-4,6-dimethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 106781898
N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]cyclopropanamine
CID 106681605

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethyloxirane?
The IUPAC name of 3-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethyloxirane (CID 116864087) is 3-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethyloxirane.
What is the SMILES notation for 3-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethyloxirane?
The canonical SMILES for 3-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethyloxirane is COc1cc(C)cc(C)c1C1OC1(C)C.
What is the InChIKey of 3-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethyloxirane?
The InChIKey is JKQIXTJHDQQDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-8-6-9(2)11(10(7-8)14-5)12-13(3,4)15-12/h6-7,12H,1-5H3.
What are the key properties of 3-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethyloxirane?
3-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethyloxirane has a molecular weight of 206.28 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethyloxirane is sourced from PubChem (CID 116864087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).