2-[1-(4-ethoxyphenyl)propan-2-yl]-3-ethyloxirane

C15H22O2 — CID 83932252

IUPAC2-[1-(4-ethoxyphenyl)propan-2-yl]-3-ethyloxirane
SMILESCCOc1ccc(CC(C)C2OC2CC)cc1
InChIInChI=1S/C15H22O2/c1-4-14-15(17-14)11(3)10-12-6-8-13(9-7-12)16-5-2/h6-9,11,14-15H,4-5,10H2,1-3H3
InChIKeyPFAHJTKRNMHLBV-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.44
Rot. Bonds6

About 2-[1-(4-ethoxyphenyl)propan-2-yl]-3-ethyloxirane

2-[1-(4-ethoxyphenyl)propan-2-yl]-3-ethyloxirane (PubChem CID 83932252) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[1-(4-ethoxyphenyl)propan-2-yl]-3-ethyloxirane.

Molecular Properties

Compound Name2-[1-(4-ethoxyphenyl)propan-2-yl]-3-ethyloxirane
PubChem CID83932252
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-[1-(4-ethoxyphenyl)propan-2-yl]-3-ethyloxirane
SMILESCCOc1ccc(CC(C)C2OC2CC)cc1
InChIInChI=1S/C15H22O2/c1-4-14-15(17-14)11(3)10-12-6-8-13(9-7-12)16-5-2/h6-9,11,14-15H,4-5,10H2,1-3H3
InChIKeyPFAHJTKRNMHLBV-UHFFFAOYSA-N
XLogP3.44
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-(4-ethoxyphenyl)propan-2-yl]-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-[1-(4-hexoxyphenyl)propan-2-yl]oxirane
CID 83932751
1-(2-bromopropyl)-4-ethoxybenzene
CID 82254885
2-[1-(4-hexoxyphenyl)propan-2-yl]-3-methyloxirane
CID 83932750
2-[1-(2,5-diethylphenyl)propan-2-yl]-3-ethyloxirane
CID 83920999
1-(3-bromo-2-methylpropyl)-4-ethoxybenzene
CID 64671005
2-[2-(3-ethyloxiran-2-yl)propyl]pyridine
CID 83930025
1-[2-(4-butylcyclohexyl)propyl]-4-ethoxybenzene
CID 139691896
1-(4-ethoxyphenyl)butan-2-ol
CID 82161585
1-(4-ethoxyphenyl)butan-2-amine
CID 43566029
4-(4-ethoxyphenyl)-3-methylbutan-1-ol
CID 112507798
2-[2-(4-ethoxyphenyl)ethyl]-3-methyloxirane
CID 83932245
2-[1-(2,5-diethoxyphenyl)propan-2-yl]-3-methyloxirane
CID 83942873

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxyphenyl)propan-2-yl]-3-ethyloxirane?
The IUPAC name of 2-[1-(4-ethoxyphenyl)propan-2-yl]-3-ethyloxirane (CID 83932252) is 2-[1-(4-ethoxyphenyl)propan-2-yl]-3-ethyloxirane.
What is the SMILES notation for 2-[1-(4-ethoxyphenyl)propan-2-yl]-3-ethyloxirane?
The canonical SMILES for 2-[1-(4-ethoxyphenyl)propan-2-yl]-3-ethyloxirane is CCOc1ccc(CC(C)C2OC2CC)cc1.
What is the InChIKey of 2-[1-(4-ethoxyphenyl)propan-2-yl]-3-ethyloxirane?
The InChIKey is PFAHJTKRNMHLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-14-15(17-14)11(3)10-12-6-8-13(9-7-12)16-5-2/h6-9,11,14-15H,4-5,10H2,1-3H3.
What are the key properties of 2-[1-(4-ethoxyphenyl)propan-2-yl]-3-ethyloxirane?
2-[1-(4-ethoxyphenyl)propan-2-yl]-3-ethyloxirane has a molecular weight of 234.34 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxyphenyl)propan-2-yl]-3-ethyloxirane is sourced from PubChem (CID 83932252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).