2-ethyl-3-[1-(3-methoxy-4-propoxyphenyl)propan-2-yl]oxirane

C17H26O3 — CID 83938531

IUPAC2-ethyl-3-[1-(3-methoxy-4-propoxyphenyl)propan-2-yl]oxirane
SMILESCCCOc1ccc(CC(C)C2OC2CC)cc1OC
InChIInChI=1S/C17H26O3/c1-5-9-19-15-8-7-13(11-16(15)18-4)10-12(3)17-14(6-2)20-17/h7-8,11-12,14,17H,5-6,9-10H2,1-4H3
InChIKeyZKKICJSMBHGKAJ-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.84
Rot. Bonds8

About 2-ethyl-3-[1-(3-methoxy-4-propoxyphenyl)propan-2-yl]oxirane

2-ethyl-3-[1-(3-methoxy-4-propoxyphenyl)propan-2-yl]oxirane (PubChem CID 83938531) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 2-ethyl-3-[1-(3-methoxy-4-propoxyphenyl)propan-2-yl]oxirane.

Molecular Properties

Compound Name2-ethyl-3-[1-(3-methoxy-4-propoxyphenyl)propan-2-yl]oxirane
PubChem CID83938531
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name2-ethyl-3-[1-(3-methoxy-4-propoxyphenyl)propan-2-yl]oxirane
SMILESCCCOc1ccc(CC(C)C2OC2CC)cc1OC
InChIInChI=1S/C17H26O3/c1-5-9-19-15-8-7-13(11-16(15)18-4)10-12(3)17-14(6-2)20-17/h7-8,11-12,14,17H,5-6,9-10H2,1-4H3
InChIKeyZKKICJSMBHGKAJ-UHFFFAOYSA-N
XLogP3.84
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-ethoxy-3-methoxyphenyl)propan-2-yl]-3-ethyloxirane
CID 83938406
2-[1-(3-tert-butyl-4-propoxyphenyl)propan-2-yl]-3-ethyloxirane
CID 83934518
4-(3-methoxy-4-propoxyphenyl)-3-methylbutanethioamide
CID 83938481
2-ethyl-3-[1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-2-yl]oxirane
CID 83921126
O-[(3-methoxy-4-propoxyphenyl)methyl]hydroxylamine
CID 71207187
1-(4-butoxy-3-methoxyphenyl)butan-2-amine
CID 54929034
2-[1-(3-bromo-4-methoxyphenyl)propan-2-yl]-3-methyloxirane
CID 83926147
1-[3-methoxy-4-(2-propoxyethoxy)phenyl]butan-2-amine
CID 106455589
4-(2-methylbut-3-ynyl)-1,2-dipropoxybenzene
CID 83932021
1-(3-ethoxy-4-propoxyphenyl)propan-2-ol
CID 82161162
2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol
CID 29225754
5-(3,4-dipropoxyphenyl)-4-methylpentan-2-one
CID 83931996

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[1-(3-methoxy-4-propoxyphenyl)propan-2-yl]oxirane?
The IUPAC name of 2-ethyl-3-[1-(3-methoxy-4-propoxyphenyl)propan-2-yl]oxirane (CID 83938531) is 2-ethyl-3-[1-(3-methoxy-4-propoxyphenyl)propan-2-yl]oxirane.
What is the SMILES notation for 2-ethyl-3-[1-(3-methoxy-4-propoxyphenyl)propan-2-yl]oxirane?
The canonical SMILES for 2-ethyl-3-[1-(3-methoxy-4-propoxyphenyl)propan-2-yl]oxirane is CCCOc1ccc(CC(C)C2OC2CC)cc1OC.
What is the InChIKey of 2-ethyl-3-[1-(3-methoxy-4-propoxyphenyl)propan-2-yl]oxirane?
The InChIKey is ZKKICJSMBHGKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-5-9-19-15-8-7-13(11-16(15)18-4)10-12(3)17-14(6-2)20-17/h7-8,11-12,14,17H,5-6,9-10H2,1-4H3.
What are the key properties of 2-ethyl-3-[1-(3-methoxy-4-propoxyphenyl)propan-2-yl]oxirane?
2-ethyl-3-[1-(3-methoxy-4-propoxyphenyl)propan-2-yl]oxirane has a molecular weight of 278.39 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[1-(3-methoxy-4-propoxyphenyl)propan-2-yl]oxirane is sourced from PubChem (CID 83938531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).