2-[[4-[2,3-difluoro-4-[4-(oxiran-2-ylmethoxymethoxy)phenyl]phenyl]phenoxy]methoxymethyl]oxirane

C26H24F2O6 — CID 59790615

IUPAC2-[[4-[2,3-difluoro-4-[4-(oxiran-2-ylmethoxymethoxy)phenyl]phenyl]phenoxy]methoxymethyl]oxirane
SMILESFc1c(-c2ccc(OCOCC3CO3)cc2)ccc(-c2ccc(OCOCC3CO3)cc2)c1F
InChIInChI=1S/C26H24F2O6/c27-25-23(17-1-5-19(6-2-17)33-15-29-11-21-13-31-21)9-10-24(26(25)28)18-3-7-20(8-4-18)34-16-30-12-22-14-32-22/h1-10,21-22H,11-16H2
InChIKeyHTYJPOZBHSDLHY-UHFFFAOYSA-N
MW470.47 g/mol
LogP4.80
Rot. Bonds12

About 2-[[4-[2,3-difluoro-4-[4-(oxiran-2-ylmethoxymethoxy)phenyl]phenyl]phenoxy]methoxymethyl]oxirane

2-[[4-[2,3-difluoro-4-[4-(oxiran-2-ylmethoxymethoxy)phenyl]phenyl]phenoxy]methoxymethyl]oxirane (PubChem CID 59790615) has the molecular formula C26H24F2O6 and a molecular weight of 470.47 g/mol. Its IUPAC name is 2-[[4-[2,3-difluoro-4-[4-(oxiran-2-ylmethoxymethoxy)phenyl]phenyl]phenoxy]methoxymethyl]oxirane.

Molecular Properties

Compound Name2-[[4-[2,3-difluoro-4-[4-(oxiran-2-ylmethoxymethoxy)phenyl]phenyl]phenoxy]methoxymethyl]oxirane
PubChem CID59790615
Molecular FormulaC26H24F2O6
Molecular Weight470.47 g/mol
Exact Mass470.15
IUPAC Name2-[[4-[2,3-difluoro-4-[4-(oxiran-2-ylmethoxymethoxy)phenyl]phenyl]phenoxy]methoxymethyl]oxirane
SMILESFc1c(-c2ccc(OCOCC3CO3)cc2)ccc(-c2ccc(OCOCC3CO3)cc2)c1F
InChIInChI=1S/C26H24F2O6/c27-25-23(17-1-5-19(6-2-17)33-15-29-11-21-13-31-21)9-10-24(26(25)28)18-3-7-20(8-4-18)34-16-30-12-22-14-32-22/h1-10,21-22H,11-16H2
InChIKeyHTYJPOZBHSDLHY-UHFFFAOYSA-N
XLogP4.80
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.47
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[[4-[2,3-difluoro-4-[4-(oxiran-2-ylmethoxymethoxy)phenyl]phenyl]phenoxy]methoxymethyl]oxirane with MolForge

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Related Compounds

2-[[4-[3-fluoro-4-[[4-(oxiran-2-ylmethoxymethoxy)phenoxy]methoxy]phenyl]phenoxy]methoxymethyl]oxirane
CID 59790799
2-[[4-[2-[4-[2-[4-(oxiran-2-ylmethoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]phenoxy]methoxymethyl]oxirane
CID 72562916
2-[[4-[4-[2-[2-fluoro-4-(oxiran-2-ylmethoxymethoxy)phenyl]ethynyl]phenyl]phenoxy]methoxymethyl]oxirane
CID 59790608
2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane
CID 87441812
2-[[4-[2-(4-chlorophenyl)ethyl]phenoxy]methoxymethyl]oxirane
CID 59790958
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
4-[2-[4-(oxiran-2-ylmethoxymethoxy)phenyl]ethyl]benzonitrile
CID 59791049
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
ethoxyethane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
CID 88710834
2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane
CID 74928009
2-[4-[4-[[2,3-difluoro-4-(4-methoxyphenyl)phenyl]methoxy]phenyl]-2,3-difluorophenyl]oxirane
CID 88963639
2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 86030430

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2,3-difluoro-4-[4-(oxiran-2-ylmethoxymethoxy)phenyl]phenyl]phenoxy]methoxymethyl]oxirane?
The IUPAC name of 2-[[4-[2,3-difluoro-4-[4-(oxiran-2-ylmethoxymethoxy)phenyl]phenyl]phenoxy]methoxymethyl]oxirane (CID 59790615) is 2-[[4-[2,3-difluoro-4-[4-(oxiran-2-ylmethoxymethoxy)phenyl]phenyl]phenoxy]methoxymethyl]oxirane.
What is the SMILES notation for 2-[[4-[2,3-difluoro-4-[4-(oxiran-2-ylmethoxymethoxy)phenyl]phenyl]phenoxy]methoxymethyl]oxirane?
The canonical SMILES for 2-[[4-[2,3-difluoro-4-[4-(oxiran-2-ylmethoxymethoxy)phenyl]phenyl]phenoxy]methoxymethyl]oxirane is Fc1c(-c2ccc(OCOCC3CO3)cc2)ccc(-c2ccc(OCOCC3CO3)cc2)c1F.
What is the InChIKey of 2-[[4-[2,3-difluoro-4-[4-(oxiran-2-ylmethoxymethoxy)phenyl]phenyl]phenoxy]methoxymethyl]oxirane?
The InChIKey is HTYJPOZBHSDLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2O6/c27-25-23(17-1-5-19(6-2-17)33-15-29-11-21-13-31-21)9-10-24(26(25)28)18-3-7-20(8-4-18)34-16-30-12-22-14-32-22/h1-10,21-22H,11-16H2.
What are the key properties of 2-[[4-[2,3-difluoro-4-[4-(oxiran-2-ylmethoxymethoxy)phenyl]phenyl]phenoxy]methoxymethyl]oxirane?
2-[[4-[2,3-difluoro-4-[4-(oxiran-2-ylmethoxymethoxy)phenyl]phenyl]phenoxy]methoxymethyl]oxirane has a molecular weight of 470.47 g/mol, XLogP of 4.80, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2,3-difluoro-4-[4-(oxiran-2-ylmethoxymethoxy)phenyl]phenyl]phenoxy]methoxymethyl]oxirane is sourced from PubChem (CID 59790615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).