2-[1-(2,5-diethylphenyl)propan-2-yl]-3-ethyloxirane

C17H26O — CID 83920999

IUPAC2-[1-(2,5-diethylphenyl)propan-2-yl]-3-ethyloxirane
SMILESCCc1ccc(CC)c(CC(C)C2OC2CC)c1
InChIInChI=1S/C17H26O/c1-5-13-8-9-14(6-2)15(11-13)10-12(4)17-16(7-3)18-17/h8-9,11-12,16-17H,5-7,10H2,1-4H3
InChIKeyWKYLCZHOVFRGBS-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.17
Rot. Bonds6

About 2-[1-(2,5-diethylphenyl)propan-2-yl]-3-ethyloxirane

2-[1-(2,5-diethylphenyl)propan-2-yl]-3-ethyloxirane (PubChem CID 83920999) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-[1-(2,5-diethylphenyl)propan-2-yl]-3-ethyloxirane.

Molecular Properties

Compound Name2-[1-(2,5-diethylphenyl)propan-2-yl]-3-ethyloxirane
PubChem CID83920999
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name2-[1-(2,5-diethylphenyl)propan-2-yl]-3-ethyloxirane
SMILESCCc1ccc(CC)c(CC(C)C2OC2CC)c1
InChIInChI=1S/C17H26O/c1-5-13-8-9-14(6-2)15(11-13)10-12(4)17-16(7-3)18-17/h8-9,11-12,16-17H,5-7,10H2,1-4H3
InChIKeyWKYLCZHOVFRGBS-UHFFFAOYSA-N
XLogP4.17
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[1-(2,5-diethylphenyl)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-[1-(3-tert-butyl-4-methylphenyl)propan-2-yl]-3-ethyloxirane
CID 83939257
1,4-diethyl-2-(2-methylpent-3-ynyl)benzene
CID 83920969
2-[1-(4,5-diethoxy-2-fluorophenyl)propan-2-yl]-3-ethyloxirane
CID 83923159
1,4-diethyl-2-(2-methylhex-3-ynyl)benzene
CID 83920970
5-(2,5-diethylphenyl)-4-methylpentan-2-one
CID 83920938
2-ethyl-3-[1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-2-yl]oxirane
CID 83921126
2-[2-(3-ethyloxiran-2-yl)propyl]pyridine
CID 83930025
(2R)-1-(3,4-diethylphenyl)propan-2-amine
CID 139743643
2-(difluoromethyl)-1,4-diethylbenzene
CID 143346890
2-(2,5-diethylphenyl)ethanamine
CID 117277667
(2,5-diethylphenyl)methyl-triphenylphosphanium bromide
CID 87629549
(2,4-diethylphenyl)methanol
CID 21414896

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-diethylphenyl)propan-2-yl]-3-ethyloxirane?
The IUPAC name of 2-[1-(2,5-diethylphenyl)propan-2-yl]-3-ethyloxirane (CID 83920999) is 2-[1-(2,5-diethylphenyl)propan-2-yl]-3-ethyloxirane.
What is the SMILES notation for 2-[1-(2,5-diethylphenyl)propan-2-yl]-3-ethyloxirane?
The canonical SMILES for 2-[1-(2,5-diethylphenyl)propan-2-yl]-3-ethyloxirane is CCc1ccc(CC)c(CC(C)C2OC2CC)c1.
What is the InChIKey of 2-[1-(2,5-diethylphenyl)propan-2-yl]-3-ethyloxirane?
The InChIKey is WKYLCZHOVFRGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-5-13-8-9-14(6-2)15(11-13)10-12(4)17-16(7-3)18-17/h8-9,11-12,16-17H,5-7,10H2,1-4H3.
What are the key properties of 2-[1-(2,5-diethylphenyl)propan-2-yl]-3-ethyloxirane?
2-[1-(2,5-diethylphenyl)propan-2-yl]-3-ethyloxirane has a molecular weight of 246.39 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-diethylphenyl)propan-2-yl]-3-ethyloxirane is sourced from PubChem (CID 83920999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).