2-[[4-[(E)-2-[4-(ethoxymethoxy)-3,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]methyl]oxirane

C24H30O8 — CID 145103096

IUPAC2-[[4-[(E)-2-[4-(ethoxymethoxy)-3,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]methyl]oxirane
SMILESCCOCOc1c(OC)cc(/C=C/c2cc(OC)c(OCC3CO3)c(OC)c2)cc1OC
InChIInChI=1S/C24H30O8/c1-6-29-15-32-24-21(27-4)11-17(12-22(24)28-5)8-7-16-9-19(25-2)23(20(10-16)26-3)31-14-18-13-30-18/h7-12,18H,6,13-15H2,1-5H3/b8-7+
InChIKeyRAYMPFSLWXBPNT-BQYQJAHWSA-N
MW446.50 g/mol
LogP4.04
Rot. Bonds13

About 2-[[4-[(E)-2-[4-(ethoxymethoxy)-3,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]methyl]oxirane

2-[[4-[(E)-2-[4-(ethoxymethoxy)-3,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]methyl]oxirane (PubChem CID 145103096) has the molecular formula C24H30O8 and a molecular weight of 446.50 g/mol. Its IUPAC name is 2-[[4-[(E)-2-[4-(ethoxymethoxy)-3,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-[(E)-2-[4-(ethoxymethoxy)-3,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]methyl]oxirane
PubChem CID145103096
Molecular FormulaC24H30O8
Molecular Weight446.50 g/mol
Exact Mass446.19
IUPAC Name2-[[4-[(E)-2-[4-(ethoxymethoxy)-3,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]methyl]oxirane
SMILESCCOCOc1c(OC)cc(/C=C/c2cc(OC)c(OCC3CO3)c(OC)c2)cc1OC
InChIInChI=1S/C24H30O8/c1-6-29-15-32-24-21(27-4)11-17(12-22(24)28-5)8-7-16-9-19(25-2)23(20(10-16)26-3)31-14-18-13-30-18/h7-12,18H,6,13-15H2,1-5H3/b8-7+
InChIKeyRAYMPFSLWXBPNT-BQYQJAHWSA-N
XLogP4.04
TPSA77.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[[4-[(E)-2-[4-(ethoxymethoxy)-3,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]methyl]oxirane with MolForge

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Related Compounds

(E)-3-[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-ol
CID 177209420
(1E,4E)-1,5-bis[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]penta-1,4-dien-3-one
CID 102029680
2-[[2-(ethoxymethoxy)-6-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 170966170
1-[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]-4,4-dimethylpent-1-en-3-one
CID 139727215
2-[[2,6-dimethoxy-4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 118245779
1,4-bis[2-(4-ethoxy-3,5-dimethoxyphenyl)ethenyl]-2,5-dimethylbenzene
CID 59189373
3-[2-(ethoxymethoxy)-5-formyl-3-methoxyphenyl]-5-methoxy-4-(3-methoxypropoxy)benzaldehyde
CID 142588190
2-[[4-[4-(ethoxymethoxy)phenyl]sulfanylphenoxy]methyl]oxirane
CID 137484879
ethane;2-[[4-[1-[4-(ethoxymethoxy)-3-methylphenyl]-1-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 176676139
ethoxyethane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
CID 88710834
2-[[4-[2-[4-[2-[4-(oxiran-2-ylmethoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]phenoxy]methoxymethyl]oxirane
CID 72562916
2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane
CID 58044663

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(E)-2-[4-(ethoxymethoxy)-3,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]methyl]oxirane?
The IUPAC name of 2-[[4-[(E)-2-[4-(ethoxymethoxy)-3,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]methyl]oxirane (CID 145103096) is 2-[[4-[(E)-2-[4-(ethoxymethoxy)-3,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[4-[(E)-2-[4-(ethoxymethoxy)-3,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]methyl]oxirane?
The canonical SMILES for 2-[[4-[(E)-2-[4-(ethoxymethoxy)-3,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]methyl]oxirane is CCOCOc1c(OC)cc(/C=C/c2cc(OC)c(OCC3CO3)c(OC)c2)cc1OC.
What is the InChIKey of 2-[[4-[(E)-2-[4-(ethoxymethoxy)-3,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]methyl]oxirane?
The InChIKey is RAYMPFSLWXBPNT-BQYQJAHWSA-N. The full InChI is InChI=1S/C24H30O8/c1-6-29-15-32-24-21(27-4)11-17(12-22(24)28-5)8-7-16-9-19(25-2)23(20(10-16)26-3)31-14-18-13-30-18/h7-12,18H,6,13-15H2,1-5H3/b8-7+.
What are the key properties of 2-[[4-[(E)-2-[4-(ethoxymethoxy)-3,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]methyl]oxirane?
2-[[4-[(E)-2-[4-(ethoxymethoxy)-3,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]methyl]oxirane has a molecular weight of 446.50 g/mol, XLogP of 4.04, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(E)-2-[4-(ethoxymethoxy)-3,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]methyl]oxirane is sourced from PubChem (CID 145103096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).