2-[[oxiran-2-yl-(3-prop-2-enylphenyl)methoxy]-(3-prop-2-enylphenyl)methyl]oxirane

C24H26O3 — CID 169094916

IUPAC2-[[oxiran-2-yl-(3-prop-2-enylphenyl)methoxy]-(3-prop-2-enylphenyl)methyl]oxirane
SMILESC=CCc1cccc(C(OC(c2cccc(CC=C)c2)C2CO2)C2CO2)c1
InChIInChI=1S/C24H26O3/c1-3-7-17-9-5-11-19(13-17)23(21-15-25-21)27-24(22-16-26-22)20-12-6-10-18(14-20)8-4-2/h3-6,9-14,21-24H,1-2,7-8,15-16H2
InChIKeyMPLBYTVNHFZQOL-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.74
Rot. Bonds10

About 2-[[oxiran-2-yl-(3-prop-2-enylphenyl)methoxy]-(3-prop-2-enylphenyl)methyl]oxirane

2-[[oxiran-2-yl-(3-prop-2-enylphenyl)methoxy]-(3-prop-2-enylphenyl)methyl]oxirane (PubChem CID 169094916) has the molecular formula C24H26O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[[oxiran-2-yl-(3-prop-2-enylphenyl)methoxy]-(3-prop-2-enylphenyl)methyl]oxirane.

Molecular Properties

Compound Name2-[[oxiran-2-yl-(3-prop-2-enylphenyl)methoxy]-(3-prop-2-enylphenyl)methyl]oxirane
PubChem CID169094916
Molecular FormulaC24H26O3
Molecular Weight362.47 g/mol
Exact Mass362.19
IUPAC Name2-[[oxiran-2-yl-(3-prop-2-enylphenyl)methoxy]-(3-prop-2-enylphenyl)methyl]oxirane
SMILESC=CCc1cccc(C(OC(c2cccc(CC=C)c2)C2CO2)C2CO2)c1
InChIInChI=1S/C24H26O3/c1-3-7-17-9-5-11-19(13-17)23(21-15-25-21)27-24(22-16-26-22)20-12-6-10-18(14-20)8-4-2/h3-6,9-14,21-24H,1-2,7-8,15-16H2
InChIKeyMPLBYTVNHFZQOL-UHFFFAOYSA-N
XLogP4.74
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[oxiran-2-yl-(3-prop-2-enylphenyl)methoxy]-(3-prop-2-enylphenyl)methyl]oxirane?
The IUPAC name of 2-[[oxiran-2-yl-(3-prop-2-enylphenyl)methoxy]-(3-prop-2-enylphenyl)methyl]oxirane (CID 169094916) is 2-[[oxiran-2-yl-(3-prop-2-enylphenyl)methoxy]-(3-prop-2-enylphenyl)methyl]oxirane.
What is the SMILES notation for 2-[[oxiran-2-yl-(3-prop-2-enylphenyl)methoxy]-(3-prop-2-enylphenyl)methyl]oxirane?
The canonical SMILES for 2-[[oxiran-2-yl-(3-prop-2-enylphenyl)methoxy]-(3-prop-2-enylphenyl)methyl]oxirane is C=CCc1cccc(C(OC(c2cccc(CC=C)c2)C2CO2)C2CO2)c1.
What is the InChIKey of 2-[[oxiran-2-yl-(3-prop-2-enylphenyl)methoxy]-(3-prop-2-enylphenyl)methyl]oxirane?
The InChIKey is MPLBYTVNHFZQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O3/c1-3-7-17-9-5-11-19(13-17)23(21-15-25-21)27-24(22-16-26-22)20-12-6-10-18(14-20)8-4-2/h3-6,9-14,21-24H,1-2,7-8,15-16H2.
What are the key properties of 2-[[oxiran-2-yl-(3-prop-2-enylphenyl)methoxy]-(3-prop-2-enylphenyl)methyl]oxirane?
2-[[oxiran-2-yl-(3-prop-2-enylphenyl)methoxy]-(3-prop-2-enylphenyl)methyl]oxirane has a molecular weight of 362.47 g/mol, XLogP of 4.74, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[oxiran-2-yl-(3-prop-2-enylphenyl)methoxy]-(3-prop-2-enylphenyl)methyl]oxirane is sourced from PubChem (CID 169094916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).