2-[[4-[3-[4-(oxiran-2-ylmethyl)phenyl]propyl]phenyl]methyl]oxirane

C21H24O2 — CID 57324598

IUPAC2-[[4-[3-[4-(oxiran-2-ylmethyl)phenyl]propyl]phenyl]methyl]oxirane
SMILESc1cc(CC2CO2)ccc1CCCc1ccc(CC2CO2)cc1
InChIInChI=1S/C21H24O2/c1(2-16-4-8-18(9-5-16)12-20-14-22-20)3-17-6-10-19(11-7-17)13-21-15-23-21/h4-11,20-21H,1-3,12-15H2
InChIKeyFCZLUHNBYPEOBZ-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.74
Rot. Bonds8

About 2-[[4-[3-[4-(oxiran-2-ylmethyl)phenyl]propyl]phenyl]methyl]oxirane

2-[[4-[3-[4-(oxiran-2-ylmethyl)phenyl]propyl]phenyl]methyl]oxirane (PubChem CID 57324598) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-[[4-[3-[4-(oxiran-2-ylmethyl)phenyl]propyl]phenyl]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-[3-[4-(oxiran-2-ylmethyl)phenyl]propyl]phenyl]methyl]oxirane
PubChem CID57324598
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name2-[[4-[3-[4-(oxiran-2-ylmethyl)phenyl]propyl]phenyl]methyl]oxirane
SMILESc1cc(CC2CO2)ccc1CCCc1ccc(CC2CO2)cc1
InChIInChI=1S/C21H24O2/c1(2-16-4-8-18(9-5-16)12-20-14-22-20)3-17-6-10-19(11-7-17)13-21-15-23-21/h4-11,20-21H,1-3,12-15H2
InChIKeyFCZLUHNBYPEOBZ-UHFFFAOYSA-N
XLogP3.74
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.74
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-[[4-[3-[4-(oxiran-2-ylmethyl)phenyl]propyl]phenyl]methyl]oxirane?
The IUPAC name of 2-[[4-[3-[4-(oxiran-2-ylmethyl)phenyl]propyl]phenyl]methyl]oxirane (CID 57324598) is 2-[[4-[3-[4-(oxiran-2-ylmethyl)phenyl]propyl]phenyl]methyl]oxirane.
What is the SMILES notation for 2-[[4-[3-[4-(oxiran-2-ylmethyl)phenyl]propyl]phenyl]methyl]oxirane?
The canonical SMILES for 2-[[4-[3-[4-(oxiran-2-ylmethyl)phenyl]propyl]phenyl]methyl]oxirane is c1cc(CC2CO2)ccc1CCCc1ccc(CC2CO2)cc1.
What is the InChIKey of 2-[[4-[3-[4-(oxiran-2-ylmethyl)phenyl]propyl]phenyl]methyl]oxirane?
The InChIKey is FCZLUHNBYPEOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c1(2-16-4-8-18(9-5-16)12-20-14-22-20)3-17-6-10-19(11-7-17)13-21-15-23-21/h4-11,20-21H,1-3,12-15H2.
What are the key properties of 2-[[4-[3-[4-(oxiran-2-ylmethyl)phenyl]propyl]phenyl]methyl]oxirane?
2-[[4-[3-[4-(oxiran-2-ylmethyl)phenyl]propyl]phenyl]methyl]oxirane has a molecular weight of 308.42 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-[4-(oxiran-2-ylmethyl)phenyl]propyl]phenyl]methyl]oxirane is sourced from PubChem (CID 57324598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).