2-[4-[2-[4-(oxiran-2-yloxy)phenyl]propan-2-yl]phenoxy]oxirane

C19H20O4 — CID 15217432

IUPAC2-[4-[2-[4-(oxiran-2-yloxy)phenyl]propan-2-yl]phenoxy]oxirane
SMILESCC(C)(c1ccc(OC2CO2)cc1)c1ccc(OC2CO2)cc1
InChIInChI=1S/C19H20O4/c1-19(2,13-3-7-15(8-4-13)22-17-11-20-17)14-5-9-16(10-6-14)23-18-12-21-18/h3-10,17-18H,11-12H2,1-2H3
InChIKeyZJXRWCYQPVZNIC-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.48
Rot. Bonds6

About 2-[4-[2-[4-(oxiran-2-yloxy)phenyl]propan-2-yl]phenoxy]oxirane

2-[4-[2-[4-(oxiran-2-yloxy)phenyl]propan-2-yl]phenoxy]oxirane (PubChem CID 15217432) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[4-[2-[4-(oxiran-2-yloxy)phenyl]propan-2-yl]phenoxy]oxirane.

Molecular Properties

Compound Name2-[4-[2-[4-(oxiran-2-yloxy)phenyl]propan-2-yl]phenoxy]oxirane
PubChem CID15217432
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name2-[4-[2-[4-(oxiran-2-yloxy)phenyl]propan-2-yl]phenoxy]oxirane
SMILESCC(C)(c1ccc(OC2CO2)cc1)c1ccc(OC2CO2)cc1
InChIInChI=1S/C19H20O4/c1-19(2,13-3-7-15(8-4-13)22-17-11-20-17)14-5-9-16(10-6-14)23-18-12-21-18/h3-10,17-18H,11-12H2,1-2H3
InChIKeyZJXRWCYQPVZNIC-UHFFFAOYSA-N
XLogP3.48
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.48
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-[4-[2-[4-(oxiran-2-yloxy)phenyl]propan-2-yl]phenoxy]oxirane?
The IUPAC name of 2-[4-[2-[4-(oxiran-2-yloxy)phenyl]propan-2-yl]phenoxy]oxirane (CID 15217432) is 2-[4-[2-[4-(oxiran-2-yloxy)phenyl]propan-2-yl]phenoxy]oxirane.
What is the SMILES notation for 2-[4-[2-[4-(oxiran-2-yloxy)phenyl]propan-2-yl]phenoxy]oxirane?
The canonical SMILES for 2-[4-[2-[4-(oxiran-2-yloxy)phenyl]propan-2-yl]phenoxy]oxirane is CC(C)(c1ccc(OC2CO2)cc1)c1ccc(OC2CO2)cc1.
What is the InChIKey of 2-[4-[2-[4-(oxiran-2-yloxy)phenyl]propan-2-yl]phenoxy]oxirane?
The InChIKey is ZJXRWCYQPVZNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-19(2,13-3-7-15(8-4-13)22-17-11-20-17)14-5-9-16(10-6-14)23-18-12-21-18/h3-10,17-18H,11-12H2,1-2H3.
What are the key properties of 2-[4-[2-[4-(oxiran-2-yloxy)phenyl]propan-2-yl]phenoxy]oxirane?
2-[4-[2-[4-(oxiran-2-yloxy)phenyl]propan-2-yl]phenoxy]oxirane has a molecular weight of 312.37 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(oxiran-2-yloxy)phenyl]propan-2-yl]phenoxy]oxirane is sourced from PubChem (CID 15217432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).