3-(2-methoxy-5-methylphenyl)-2,2-dimethyloxirane

C12H16O2 — CID 116864002

IUPAC3-(2-methoxy-5-methylphenyl)-2,2-dimethyloxirane
SMILESCOc1ccc(C)cc1C1OC1(C)C
InChIInChI=1S/C12H16O2/c1-8-5-6-10(13-4)9(7-8)11-12(2,3)14-11/h5-7,11H,1-4H3
InChIKeyJXDFETBSNCRMKL-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.85
Rot. Bonds2

About 3-(2-methoxy-5-methylphenyl)-2,2-dimethyloxirane

3-(2-methoxy-5-methylphenyl)-2,2-dimethyloxirane (PubChem CID 116864002) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-(2-methoxy-5-methylphenyl)-2,2-dimethyloxirane.

Molecular Properties

Compound Name3-(2-methoxy-5-methylphenyl)-2,2-dimethyloxirane
PubChem CID116864002
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name3-(2-methoxy-5-methylphenyl)-2,2-dimethyloxirane
SMILESCOc1ccc(C)cc1C1OC1(C)C
InChIInChI=1S/C12H16O2/c1-8-5-6-10(13-4)9(7-8)11-12(2,3)14-11/h5-7,11H,1-4H3
InChIKeyJXDFETBSNCRMKL-UHFFFAOYSA-N
XLogP2.85
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.85
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-5-methylphenyl)-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-(2,3-dichloro-4-methoxyphenyl)-2,2-dimethyloxirane
CID 116864108
5-(2-methoxy-5-methylphenyl)-3,3-dimethylmorpholine
CID 82291209
3-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethyloxirane
CID 116864087
3-(2-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 64505766
CID 175002505
CID 175002505
2,2-dimethyl-3-(2,4,5-trimethylphenyl)oxirane
CID 116864063
O-(2-methoxy-4-methylphenyl)hydroxylamine
CID 56611281
3-(2-methoxy-5-methylphenyl)-5-methyl-3H-1-benzofuran-2-one
CID 20648313
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
2-(2-methoxy-5-methylphenyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 81021418
4-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 83652520
2-(2-methoxy-5-methylphenyl)-3-methylazetidine
CID 116822099

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methylphenyl)-2,2-dimethyloxirane?
The IUPAC name of 3-(2-methoxy-5-methylphenyl)-2,2-dimethyloxirane (CID 116864002) is 3-(2-methoxy-5-methylphenyl)-2,2-dimethyloxirane.
What is the SMILES notation for 3-(2-methoxy-5-methylphenyl)-2,2-dimethyloxirane?
The canonical SMILES for 3-(2-methoxy-5-methylphenyl)-2,2-dimethyloxirane is COc1ccc(C)cc1C1OC1(C)C.
What is the InChIKey of 3-(2-methoxy-5-methylphenyl)-2,2-dimethyloxirane?
The InChIKey is JXDFETBSNCRMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8-5-6-10(13-4)9(7-8)11-12(2,3)14-11/h5-7,11H,1-4H3.
What are the key properties of 3-(2-methoxy-5-methylphenyl)-2,2-dimethyloxirane?
3-(2-methoxy-5-methylphenyl)-2,2-dimethyloxirane has a molecular weight of 192.26 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methylphenyl)-2,2-dimethyloxirane is sourced from PubChem (CID 116864002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).