2-[1-[4-[4-[2-(oxiran-2-yl)butoxy]phenyl]phenoxy]butan-2-yl]oxirane

C24H30O4 — CID 141425423

IUPAC2-[1-[4-[4-[2-(oxiran-2-yl)butoxy]phenyl]phenoxy]butan-2-yl]oxirane
SMILESCCC(COc1ccc(-c2ccc(OCC(CC)C3CO3)cc2)cc1)C1CO1
InChIInChI=1S/C24H30O4/c1-3-17(23-15-27-23)13-25-21-9-5-19(6-10-21)20-7-11-22(12-8-20)26-14-18(4-2)24-16-28-24/h5-12,17-18,23-24H,3-4,13-16H2,1-2H3
InChIKeyRZCJUTXXSVFQPS-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.96
Rot. Bonds11

About 2-[1-[4-[4-[2-(oxiran-2-yl)butoxy]phenyl]phenoxy]butan-2-yl]oxirane

2-[1-[4-[4-[2-(oxiran-2-yl)butoxy]phenyl]phenoxy]butan-2-yl]oxirane (PubChem CID 141425423) has the molecular formula C24H30O4 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[1-[4-[4-[2-(oxiran-2-yl)butoxy]phenyl]phenoxy]butan-2-yl]oxirane.

Molecular Properties

Compound Name2-[1-[4-[4-[2-(oxiran-2-yl)butoxy]phenyl]phenoxy]butan-2-yl]oxirane
PubChem CID141425423
Molecular FormulaC24H30O4
Molecular Weight382.50 g/mol
Exact Mass382.21
IUPAC Name2-[1-[4-[4-[2-(oxiran-2-yl)butoxy]phenyl]phenoxy]butan-2-yl]oxirane
SMILESCCC(COc1ccc(-c2ccc(OCC(CC)C3CO3)cc2)cc1)C1CO1
InChIInChI=1S/C24H30O4/c1-3-17(23-15-27-23)13-25-21-9-5-19(6-10-21)20-7-11-22(12-8-20)26-14-18(4-2)24-16-28-24/h5-12,17-18,23-24H,3-4,13-16H2,1-2H3
InChIKeyRZCJUTXXSVFQPS-UHFFFAOYSA-N
XLogP4.96
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[1-[4-[4-[2-(oxiran-2-yl)butoxy]phenyl]phenoxy]butan-2-yl]oxirane?
The IUPAC name of 2-[1-[4-[4-[2-(oxiran-2-yl)butoxy]phenyl]phenoxy]butan-2-yl]oxirane (CID 141425423) is 2-[1-[4-[4-[2-(oxiran-2-yl)butoxy]phenyl]phenoxy]butan-2-yl]oxirane.
What is the SMILES notation for 2-[1-[4-[4-[2-(oxiran-2-yl)butoxy]phenyl]phenoxy]butan-2-yl]oxirane?
The canonical SMILES for 2-[1-[4-[4-[2-(oxiran-2-yl)butoxy]phenyl]phenoxy]butan-2-yl]oxirane is CCC(COc1ccc(-c2ccc(OCC(CC)C3CO3)cc2)cc1)C1CO1.
What is the InChIKey of 2-[1-[4-[4-[2-(oxiran-2-yl)butoxy]phenyl]phenoxy]butan-2-yl]oxirane?
The InChIKey is RZCJUTXXSVFQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O4/c1-3-17(23-15-27-23)13-25-21-9-5-19(6-10-21)20-7-11-22(12-8-20)26-14-18(4-2)24-16-28-24/h5-12,17-18,23-24H,3-4,13-16H2,1-2H3.
What are the key properties of 2-[1-[4-[4-[2-(oxiran-2-yl)butoxy]phenyl]phenoxy]butan-2-yl]oxirane?
2-[1-[4-[4-[2-(oxiran-2-yl)butoxy]phenyl]phenoxy]butan-2-yl]oxirane has a molecular weight of 382.50 g/mol, XLogP of 4.96, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[4-[2-(oxiran-2-yl)butoxy]phenyl]phenoxy]butan-2-yl]oxirane is sourced from PubChem (CID 141425423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).