2-(4-methoxy-2,5-dimethylphenyl)oxirane

C11H14O2 — CID 82074963

IUPAC2-(4-methoxy-2,5-dimethylphenyl)oxirane
SMILESCOc1cc(C)c(C2CO2)cc1C
InChIInChI=1S/C11H14O2/c1-7-5-10(12-3)8(2)4-9(7)11-6-13-11/h4-5,11H,6H2,1-3H3
InChIKeyADODWRHTBSPHEG-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.38
Rot. Bonds2

About 2-(4-methoxy-2,5-dimethylphenyl)oxirane

2-(4-methoxy-2,5-dimethylphenyl)oxirane (PubChem CID 82074963) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-(4-methoxy-2,5-dimethylphenyl)oxirane.

Molecular Properties

Compound Name2-(4-methoxy-2,5-dimethylphenyl)oxirane
PubChem CID82074963
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-(4-methoxy-2,5-dimethylphenyl)oxirane
SMILESCOc1cc(C)c(C2CO2)cc1C
InChIInChI=1S/C11H14O2/c1-7-5-10(12-3)8(2)4-9(7)11-6-13-11/h4-5,11H,6H2,1-3H3
InChIKeyADODWRHTBSPHEG-UHFFFAOYSA-N
XLogP2.38
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.38
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

2-(5-chloro-2-methoxy-4-methylphenyl)oxirane
CID 82282154
2-methoxy-5-methyl-4-[(2R)-oxiran-2-yl]benzonitrile
CID 124560285
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
(2R)-2-(2-methoxyphenyl)oxirane
CID 27776035
2-(2,4-dimethoxy-5-methylphenyl)morpholine
CID 117346886
2-(5-chloro-2-methoxyphenyl)oxirane
CID 82075180
2-(5-chloro-2-methoxy-3-methylphenyl)oxirane
CID 82282158
N-[2,5-dimethyl-4-(oxiran-2-yl)phenyl]acetamide
CID 18316769
2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane
CID 11086922
(7R)-7-chloro-3-methoxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 7055831
2-(4-methoxy-2,5-dimethylphenyl)-1-methylpiperazine
CID 82083204

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,5-dimethylphenyl)oxirane?
The IUPAC name of 2-(4-methoxy-2,5-dimethylphenyl)oxirane (CID 82074963) is 2-(4-methoxy-2,5-dimethylphenyl)oxirane.
What is the SMILES notation for 2-(4-methoxy-2,5-dimethylphenyl)oxirane?
The canonical SMILES for 2-(4-methoxy-2,5-dimethylphenyl)oxirane is COc1cc(C)c(C2CO2)cc1C.
What is the InChIKey of 2-(4-methoxy-2,5-dimethylphenyl)oxirane?
The InChIKey is ADODWRHTBSPHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-7-5-10(12-3)8(2)4-9(7)11-6-13-11/h4-5,11H,6H2,1-3H3.
What are the key properties of 2-(4-methoxy-2,5-dimethylphenyl)oxirane?
2-(4-methoxy-2,5-dimethylphenyl)oxirane has a molecular weight of 178.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,5-dimethylphenyl)oxirane is sourced from PubChem (CID 82074963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).