2-[2-(2,4-dimethylphenyl)propyl]-3-ethyloxirane

C15H22O — CID 83928064

IUPAC2-[2-(2,4-dimethylphenyl)propyl]-3-ethyloxirane
SMILESCCC1OC1CC(C)c1ccc(C)cc1C
InChIInChI=1S/C15H22O/c1-5-14-15(16-14)9-12(4)13-7-6-10(2)8-11(13)3/h6-8,12,14-15H,5,9H2,1-4H3
InChIKeyIVXBAUINMPQKFU-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.97
Rot. Bonds4

About 2-[2-(2,4-dimethylphenyl)propyl]-3-ethyloxirane

2-[2-(2,4-dimethylphenyl)propyl]-3-ethyloxirane (PubChem CID 83928064) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylphenyl)propyl]-3-ethyloxirane.

Molecular Properties

Compound Name2-[2-(2,4-dimethylphenyl)propyl]-3-ethyloxirane
PubChem CID83928064
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2-[2-(2,4-dimethylphenyl)propyl]-3-ethyloxirane
SMILESCCC1OC1CC(C)c1ccc(C)cc1C
InChIInChI=1S/C15H22O/c1-5-14-15(16-14)9-12(4)13-7-6-10(2)8-11(13)3/h6-8,12,14-15H,5,9H2,1-4H3
InChIKeyIVXBAUINMPQKFU-UHFFFAOYSA-N
XLogP3.97
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[2-(2,4-dimethylphenyl)propyl]-3-ethyloxirane 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

2-ethyl-3-[2-(2,4,6-trimethylphenyl)propyl]oxirane
CID 83928273
2-[2-(2,5-dimethylphenyl)propyl]-3-methyloxirane
CID 83928171
4-(2,4-dimethylphenyl)pentan-2-amine
CID 64721851
6-(2,4-dimethylphenyl)heptan-3-amine
CID 83927991
2-[2-(4,5-diethoxy-2-fluorophenyl)propyl]-3-ethyloxirane
CID 83923153
1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane
CID 91220313
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
1-heptan-4-yl-2,4-dimethylbenzene
CID 142336118
N-[1-(2,4-dimethylphenyl)ethyl]-3-methylpentan-2-amine
CID 63448845
2-[2-(3,5-dimethylphenyl)butyl]-3-ethyloxirane
CID 83922415
3-(2,4-dimethylphenyl)-N-methylbutanamide
CID 82077150
5-amino-2-(2,4-dimethylphenyl)octan-4-ol
CID 83928076

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylphenyl)propyl]-3-ethyloxirane?
The IUPAC name of 2-[2-(2,4-dimethylphenyl)propyl]-3-ethyloxirane (CID 83928064) is 2-[2-(2,4-dimethylphenyl)propyl]-3-ethyloxirane.
What is the SMILES notation for 2-[2-(2,4-dimethylphenyl)propyl]-3-ethyloxirane?
The canonical SMILES for 2-[2-(2,4-dimethylphenyl)propyl]-3-ethyloxirane is CCC1OC1CC(C)c1ccc(C)cc1C.
What is the InChIKey of 2-[2-(2,4-dimethylphenyl)propyl]-3-ethyloxirane?
The InChIKey is IVXBAUINMPQKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-5-14-15(16-14)9-12(4)13-7-6-10(2)8-11(13)3/h6-8,12,14-15H,5,9H2,1-4H3.
What are the key properties of 2-[2-(2,4-dimethylphenyl)propyl]-3-ethyloxirane?
2-[2-(2,4-dimethylphenyl)propyl]-3-ethyloxirane has a molecular weight of 218.34 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylphenyl)propyl]-3-ethyloxirane is sourced from PubChem (CID 83928064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).