2-[[4-[2-[4-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenyl]methyl]oxirane

C21H24O2 — CID 19817405

IUPAC2-[[4-[2-[4-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenyl]methyl]oxirane
SMILESCC(C)(c1ccc(CC2CO2)cc1)c1ccc(CC2CO2)cc1
InChIInChI=1S/C21H24O2/c1-21(2,17-7-3-15(4-8-17)11-19-13-22-19)18-9-5-16(6-10-18)12-20-14-23-20/h3-10,19-20H,11-14H2,1-2H3
InChIKeyXRCKYOARSSVJJM-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.90
Rot. Bonds6

About 2-[[4-[2-[4-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenyl]methyl]oxirane

2-[[4-[2-[4-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenyl]methyl]oxirane (PubChem CID 19817405) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-[[4-[2-[4-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenyl]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-[2-[4-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenyl]methyl]oxirane
PubChem CID19817405
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name2-[[4-[2-[4-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenyl]methyl]oxirane
SMILESCC(C)(c1ccc(CC2CO2)cc1)c1ccc(CC2CO2)cc1
InChIInChI=1S/C21H24O2/c1-21(2,17-7-3-15(4-8-17)11-19-13-22-19)18-9-5-16(6-10-18)12-20-14-23-20/h3-10,19-20H,11-14H2,1-2H3
InChIKeyXRCKYOARSSVJJM-UHFFFAOYSA-N
XLogP3.90
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.90
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-[2-[4-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenyl]methyl]oxirane?
The IUPAC name of 2-[[4-[2-[4-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenyl]methyl]oxirane (CID 19817405) is 2-[[4-[2-[4-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenyl]methyl]oxirane.
What is the SMILES notation for 2-[[4-[2-[4-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenyl]methyl]oxirane?
The canonical SMILES for 2-[[4-[2-[4-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenyl]methyl]oxirane is CC(C)(c1ccc(CC2CO2)cc1)c1ccc(CC2CO2)cc1.
What is the InChIKey of 2-[[4-[2-[4-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenyl]methyl]oxirane?
The InChIKey is XRCKYOARSSVJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c1-21(2,17-7-3-15(4-8-17)11-19-13-22-19)18-9-5-16(6-10-18)12-20-14-23-20/h3-10,19-20H,11-14H2,1-2H3.
What are the key properties of 2-[[4-[2-[4-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenyl]methyl]oxirane?
2-[[4-[2-[4-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenyl]methyl]oxirane has a molecular weight of 308.42 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[4-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenyl]methyl]oxirane is sourced from PubChem (CID 19817405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).