2-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]oxirane

C15H22O4 — CID 15107809

IUPAC2-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]oxirane
SMILESCC(C)OCCOCc1ccc(OCC2CO2)cc1
InChIInChI=1S/C15H22O4/c1-12(2)17-8-7-16-9-13-3-5-14(6-4-13)18-10-15-11-19-15/h3-6,12,15H,7-11H2,1-2H3
InChIKeyRTXODTOQINKROX-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.41
Rot. Bonds9

About 2-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]oxirane

2-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]oxirane (PubChem CID 15107809) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]oxirane
PubChem CID15107809
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]oxirane
SMILESCC(C)OCCOCc1ccc(OCC2CO2)cc1
InChIInChI=1S/C15H22O4/c1-12(2)17-8-7-16-9-13-3-5-14(6-4-13)18-10-15-11-19-15/h3-6,12,15H,7-11H2,1-2H3
InChIKeyRTXODTOQINKROX-UHFFFAOYSA-N
XLogP2.41
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]oxirane?
The IUPAC name of 2-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]oxirane (CID 15107809) is 2-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]oxirane is CC(C)OCCOCc1ccc(OCC2CO2)cc1.
What is the InChIKey of 2-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]oxirane?
The InChIKey is RTXODTOQINKROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-12(2)17-8-7-16-9-13-3-5-14(6-4-13)18-10-15-11-19-15/h3-6,12,15H,7-11H2,1-2H3.
What are the key properties of 2-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]oxirane?
2-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]oxirane has a molecular weight of 266.34 g/mol, XLogP of 2.41, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]oxirane is sourced from PubChem (CID 15107809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).