2-[2-(oxiran-2-yl)-3-phenoxyphenyl]oxirane

C16H14O3 — CID 87060261

IUPAC2-[2-(oxiran-2-yl)-3-phenoxyphenyl]oxirane
SMILESc1ccc(Oc2cccc(C3CO3)c2C2CO2)cc1
InChIInChI=1S/C16H14O3/c1-2-5-11(6-3-1)19-13-8-4-7-12(14-9-17-14)16(13)15-10-18-15/h1-8,14-15H,9-10H2
InChIKeyVONYYKVGZDCDFQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.62
Rot. Bonds4

About 2-[2-(oxiran-2-yl)-3-phenoxyphenyl]oxirane

2-[2-(oxiran-2-yl)-3-phenoxyphenyl]oxirane (PubChem CID 87060261) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[2-(oxiran-2-yl)-3-phenoxyphenyl]oxirane.

Molecular Properties

Compound Name2-[2-(oxiran-2-yl)-3-phenoxyphenyl]oxirane
PubChem CID87060261
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name2-[2-(oxiran-2-yl)-3-phenoxyphenyl]oxirane
SMILESc1ccc(Oc2cccc(C3CO3)c2C2CO2)cc1
InChIInChI=1S/C16H14O3/c1-2-5-11(6-3-1)19-13-8-4-7-12(14-9-17-14)16(13)15-10-18-15/h1-8,14-15H,9-10H2
InChIKeyVONYYKVGZDCDFQ-UHFFFAOYSA-N
XLogP3.62
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-(oxiran-2-yl)-3-phenoxyphenyl]oxirane?
The IUPAC name of 2-[2-(oxiran-2-yl)-3-phenoxyphenyl]oxirane (CID 87060261) is 2-[2-(oxiran-2-yl)-3-phenoxyphenyl]oxirane.
What is the SMILES notation for 2-[2-(oxiran-2-yl)-3-phenoxyphenyl]oxirane?
The canonical SMILES for 2-[2-(oxiran-2-yl)-3-phenoxyphenyl]oxirane is c1ccc(Oc2cccc(C3CO3)c2C2CO2)cc1.
What is the InChIKey of 2-[2-(oxiran-2-yl)-3-phenoxyphenyl]oxirane?
The InChIKey is VONYYKVGZDCDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-2-5-11(6-3-1)19-13-8-4-7-12(14-9-17-14)16(13)15-10-18-15/h1-8,14-15H,9-10H2.
What are the key properties of 2-[2-(oxiran-2-yl)-3-phenoxyphenyl]oxirane?
2-[2-(oxiran-2-yl)-3-phenoxyphenyl]oxirane has a molecular weight of 254.29 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxiran-2-yl)-3-phenoxyphenyl]oxirane is sourced from PubChem (CID 87060261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).