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

C24H26O5 — CID 141319005

IUPAC2-[[oxiran-2-yl-(2-prop-2-enoxyphenyl)methoxy]-(2-prop-2-enoxyphenyl)methyl]oxirane
SMILESC=CCOc1ccccc1C(OC(c1ccccc1OCC=C)C1CO1)C1CO1
InChIInChI=1S/C24H26O5/c1-3-13-25-19-11-7-5-9-17(19)23(21-15-27-21)29-24(22-16-28-22)18-10-6-8-12-20(18)26-14-4-2/h3-12,21-24H,1-2,13-16H2
InChIKeyDZWMAOKBAIIPRK-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.41
Rot. Bonds12

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

2-[[oxiran-2-yl-(2-prop-2-enoxyphenyl)methoxy]-(2-prop-2-enoxyphenyl)methyl]oxirane (PubChem CID 141319005) has the molecular formula C24H26O5 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-[[oxiran-2-yl-(2-prop-2-enoxyphenyl)methoxy]-(2-prop-2-enoxyphenyl)methyl]oxirane.

Molecular Properties

Compound Name2-[[oxiran-2-yl-(2-prop-2-enoxyphenyl)methoxy]-(2-prop-2-enoxyphenyl)methyl]oxirane
PubChem CID141319005
Molecular FormulaC24H26O5
Molecular Weight394.47 g/mol
Exact Mass394.18
IUPAC Name2-[[oxiran-2-yl-(2-prop-2-enoxyphenyl)methoxy]-(2-prop-2-enoxyphenyl)methyl]oxirane
SMILESC=CCOc1ccccc1C(OC(c1ccccc1OCC=C)C1CO1)C1CO1
InChIInChI=1S/C24H26O5/c1-3-13-25-19-11-7-5-9-17(19)23(21-15-27-21)29-24(22-16-28-22)18-10-6-8-12-20(18)26-14-4-2/h3-12,21-24H,1-2,13-16H2
InChIKeyDZWMAOKBAIIPRK-UHFFFAOYSA-N
XLogP4.41
TPSA52.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-methyl-1-(2-prop-2-enoxyphenyl)ethanamine
CID 137320021
1-(2-prop-2-enoxyphenyl)propane-1,2,3-triol
CID 170819149
2-[[oxiran-2-yl-(3-prop-2-enylphenyl)methoxy]-(3-prop-2-enylphenyl)methyl]oxirane
CID 169094916
2-[(2-methyl-6-prop-2-enylphenyl)-[(2-methyl-6-prop-2-enylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane
CID 141473572
2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-[[2,3-bis(oxiran-2-ylmethyl)phenyl]-(oxiran-2-yl)methoxy]methyl]oxirane
CID 175318150
2-[[2-(2-prop-2-enoxyphenyl)cyclobuta-1,3-dien-1-yl]methyl]oxirane
CID 142873935
[2-oxo-1-(2-prop-2-enoxyphenyl)propyl] acetate
CID 51033135
2-[(2-methoxy-6-prop-2-enoxyphenyl)methyl]oxirane
CID 177394932
CID 54342981
CID 54342981
oxirane;1-prop-2-enoxynaphthalene
CID 174790954
1-cyclopent-3-en-1-yl-2-prop-2-enoxybenzene
CID 11148337
4,4-dimethyl-1-(2-prop-2-enoxyphenyl)pent-2-yn-1-ol
CID 102215116

Frequently Asked Questions

What is the IUPAC name of 2-[[oxiran-2-yl-(2-prop-2-enoxyphenyl)methoxy]-(2-prop-2-enoxyphenyl)methyl]oxirane?
The IUPAC name of 2-[[oxiran-2-yl-(2-prop-2-enoxyphenyl)methoxy]-(2-prop-2-enoxyphenyl)methyl]oxirane (CID 141319005) is 2-[[oxiran-2-yl-(2-prop-2-enoxyphenyl)methoxy]-(2-prop-2-enoxyphenyl)methyl]oxirane.
What is the SMILES notation for 2-[[oxiran-2-yl-(2-prop-2-enoxyphenyl)methoxy]-(2-prop-2-enoxyphenyl)methyl]oxirane?
The canonical SMILES for 2-[[oxiran-2-yl-(2-prop-2-enoxyphenyl)methoxy]-(2-prop-2-enoxyphenyl)methyl]oxirane is C=CCOc1ccccc1C(OC(c1ccccc1OCC=C)C1CO1)C1CO1.
What is the InChIKey of 2-[[oxiran-2-yl-(2-prop-2-enoxyphenyl)methoxy]-(2-prop-2-enoxyphenyl)methyl]oxirane?
The InChIKey is DZWMAOKBAIIPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O5/c1-3-13-25-19-11-7-5-9-17(19)23(21-15-27-21)29-24(22-16-28-22)18-10-6-8-12-20(18)26-14-4-2/h3-12,21-24H,1-2,13-16H2.
What are the key properties of 2-[[oxiran-2-yl-(2-prop-2-enoxyphenyl)methoxy]-(2-prop-2-enoxyphenyl)methyl]oxirane?
2-[[oxiran-2-yl-(2-prop-2-enoxyphenyl)methoxy]-(2-prop-2-enoxyphenyl)methyl]oxirane has a molecular weight of 394.47 g/mol, XLogP of 4.41, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[oxiran-2-yl-(2-prop-2-enoxyphenyl)methoxy]-(2-prop-2-enoxyphenyl)methyl]oxirane is sourced from PubChem (CID 141319005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).