2-[2-(4-butyl-2-methoxyphenyl)ethyl]oxirane

C15H22O2 — CID 89049664

IUPAC2-[2-(4-butyl-2-methoxyphenyl)ethyl]oxirane
SMILESCCCCc1ccc(CCC2CO2)c(OC)c1
InChIInChI=1S/C15H22O2/c1-3-4-5-12-6-7-13(15(10-12)16-2)8-9-14-11-17-14/h6-7,10,14H,3-5,8-9,11H2,1-2H3
InChIKeyIUZZJARUXUIYAR-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.37
Rot. Bonds7

About 2-[2-(4-butyl-2-methoxyphenyl)ethyl]oxirane

2-[2-(4-butyl-2-methoxyphenyl)ethyl]oxirane (PubChem CID 89049664) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[2-(4-butyl-2-methoxyphenyl)ethyl]oxirane.

Molecular Properties

Compound Name2-[2-(4-butyl-2-methoxyphenyl)ethyl]oxirane
PubChem CID89049664
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-[2-(4-butyl-2-methoxyphenyl)ethyl]oxirane
SMILESCCCCc1ccc(CCC2CO2)c(OC)c1
InChIInChI=1S/C15H22O2/c1-3-4-5-12-6-7-13(15(10-12)16-2)8-9-14-11-17-14/h6-7,10,14H,3-5,8-9,11H2,1-2H3
InChIKeyIUZZJARUXUIYAR-UHFFFAOYSA-N
XLogP3.37
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-butyl-2-methoxyphenyl)ethyl]oxirane?
The IUPAC name of 2-[2-(4-butyl-2-methoxyphenyl)ethyl]oxirane (CID 89049664) is 2-[2-(4-butyl-2-methoxyphenyl)ethyl]oxirane.
What is the SMILES notation for 2-[2-(4-butyl-2-methoxyphenyl)ethyl]oxirane?
The canonical SMILES for 2-[2-(4-butyl-2-methoxyphenyl)ethyl]oxirane is CCCCc1ccc(CCC2CO2)c(OC)c1.
What is the InChIKey of 2-[2-(4-butyl-2-methoxyphenyl)ethyl]oxirane?
The InChIKey is IUZZJARUXUIYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-3-4-5-12-6-7-13(15(10-12)16-2)8-9-14-11-17-14/h6-7,10,14H,3-5,8-9,11H2,1-2H3.
What are the key properties of 2-[2-(4-butyl-2-methoxyphenyl)ethyl]oxirane?
2-[2-(4-butyl-2-methoxyphenyl)ethyl]oxirane has a molecular weight of 234.34 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-butyl-2-methoxyphenyl)ethyl]oxirane is sourced from PubChem (CID 89049664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).