bis[4-(oxiran-2-ylmethoxy)phenyl] furan-2,5-dicarboxylate

C24H20O9 — CID 162782627

IUPACbis[4-(oxiran-2-ylmethoxy)phenyl] furan-2,5-dicarboxylate
SMILESO=C(Oc1ccc(OCC2CO2)cc1)c1ccc(C(=O)Oc2ccc(OCC3CO3)cc2)o1
InChIInChI=1S/C24H20O9/c25-23(31-17-5-1-15(2-6-17)27-11-19-13-29-19)21-9-10-22(33-21)24(26)32-18-7-3-16(4-8-18)28-12-20-14-30-20/h1-10,19-20H,11-14H2
InChIKeyQJYSUEKAVNBNNN-UHFFFAOYSA-N
MW452.42 g/mol
LogP3.27
Rot. Bonds10

About bis[4-(oxiran-2-ylmethoxy)phenyl] furan-2,5-dicarboxylate

bis[4-(oxiran-2-ylmethoxy)phenyl] furan-2,5-dicarboxylate (PubChem CID 162782627) has the molecular formula C24H20O9 and a molecular weight of 452.42 g/mol. Its IUPAC name is bis[4-(oxiran-2-ylmethoxy)phenyl] furan-2,5-dicarboxylate.

Molecular Properties

Compound Namebis[4-(oxiran-2-ylmethoxy)phenyl] furan-2,5-dicarboxylate
PubChem CID162782627
Molecular FormulaC24H20O9
Molecular Weight452.42 g/mol
Exact Mass452.11
IUPAC Namebis[4-(oxiran-2-ylmethoxy)phenyl] furan-2,5-dicarboxylate
SMILESO=C(Oc1ccc(OCC2CO2)cc1)c1ccc(C(=O)Oc2ccc(OCC3CO3)cc2)o1
InChIInChI=1S/C24H20O9/c25-23(31-17-5-1-15(2-6-17)27-11-19-13-29-19)21-9-10-22(33-21)24(26)32-18-7-3-16(4-8-18)28-12-20-14-30-20/h1-10,19-20H,11-14H2
InChIKeyQJYSUEKAVNBNNN-UHFFFAOYSA-N
XLogP3.27
TPSA109.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.42
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

bis[4-(oxiran-2-ylmethoxy)phenyl] benzene-1,4-dicarboxylate
CID 101169143
bis[4-(oxiran-2-ylmethoxy)phenyl] 1,2-oxazole-3,5-dicarboxylate
CID 162782624
5-O-[4-[2-(oxiran-2-yl)ethyl]phenyl] 2-O-[4-(oxiran-2-ylmethoxy)phenyl] 1,3,4-oxadiazole-2,5-dicarboxylate
CID 166979257
[4-(oxiran-2-ylmethoxy)phenyl] acetate
CID 57173964
bis[4-(oxiran-2-ylmethoxy)phenyl] 1,3,4-thiadiazole-2,5-dicarboxylate
CID 162782642
(4-phenylphenyl) 4-(oxiran-2-ylmethoxy)benzoate
CID 100970977
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
bis[4-(oxiran-2-ylmethoxy)phenyl] 2,5-dimethoxybenzene-1,4-dicarboxylate
CID 101169142
[4-[4-[4-(oxiran-2-ylmethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(oxiran-2-ylmethoxy)benzoate
CID 102025920
oxiran-2-ylmethyl 2-[4-(oxiran-2-ylmethoxy)phenyl]acetate
CID 174203610
ethane;2-[(4-ethylphenoxy)methyl]oxirane
CID 156746927
5-O-[4-[4-[4-[5-[4-(oxiran-2-ylmethoxy)phenoxy]carbonyl-1,3,4-thiadiazole-2-carbonyl]oxyphenoxy]butoxy]phenyl] 2-O-[4-(oxiran-2-ylmethoxy)phenyl] 1,3,4-thiadiazole-2,5-dicarboxylate
CID 162782621

Frequently Asked Questions

What is the IUPAC name of bis[4-(oxiran-2-ylmethoxy)phenyl] furan-2,5-dicarboxylate?
The IUPAC name of bis[4-(oxiran-2-ylmethoxy)phenyl] furan-2,5-dicarboxylate (CID 162782627) is bis[4-(oxiran-2-ylmethoxy)phenyl] furan-2,5-dicarboxylate.
What is the SMILES notation for bis[4-(oxiran-2-ylmethoxy)phenyl] furan-2,5-dicarboxylate?
The canonical SMILES for bis[4-(oxiran-2-ylmethoxy)phenyl] furan-2,5-dicarboxylate is O=C(Oc1ccc(OCC2CO2)cc1)c1ccc(C(=O)Oc2ccc(OCC3CO3)cc2)o1.
What is the InChIKey of bis[4-(oxiran-2-ylmethoxy)phenyl] furan-2,5-dicarboxylate?
The InChIKey is QJYSUEKAVNBNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O9/c25-23(31-17-5-1-15(2-6-17)27-11-19-13-29-19)21-9-10-22(33-21)24(26)32-18-7-3-16(4-8-18)28-12-20-14-30-20/h1-10,19-20H,11-14H2.
What are the key properties of bis[4-(oxiran-2-ylmethoxy)phenyl] furan-2,5-dicarboxylate?
bis[4-(oxiran-2-ylmethoxy)phenyl] furan-2,5-dicarboxylate has a molecular weight of 452.42 g/mol, XLogP of 3.27, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(oxiran-2-ylmethoxy)phenyl] furan-2,5-dicarboxylate is sourced from PubChem (CID 162782627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).