ethyl 5-[(2-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate

C17H18O6 — CID 28913579

IUPACethyl 5-[(2-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(COc2ccc(C=O)cc2OCC)o1
InChIInChI=1S/C17H18O6/c1-3-20-16-9-12(10-18)5-7-14(16)22-11-13-6-8-15(23-13)17(19)21-4-2/h5-10H,3-4,11H2,1-2H3
InChIKeyIHYACABDDOUTQD-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.25
Rot. Bonds8

About ethyl 5-[(2-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate

ethyl 5-[(2-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate (PubChem CID 28913579) has the molecular formula C17H18O6 and a molecular weight of 318.33 g/mol. Its IUPAC name is ethyl 5-[(2-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate
PubChem CID28913579
Molecular FormulaC17H18O6
Molecular Weight318.33 g/mol
Exact Mass318.11
IUPAC Nameethyl 5-[(2-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(COc2ccc(C=O)cc2OCC)o1
InChIInChI=1S/C17H18O6/c1-3-20-16-9-12(10-18)5-7-14(16)22-11-13-6-8-15(23-13)17(19)21-4-2/h5-10H,3-4,11H2,1-2H3
InChIKeyIHYACABDDOUTQD-UHFFFAOYSA-N
XLogP3.25
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-[(5-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylate
CID 28913576
methyl 5-[(2-ethoxy-4-methanehydrazonoylphenoxy)methyl]furan-2-carboxylate
CID 78678985
5-[(4-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylic acid
CID 1266840
ethyl 5-[(2-formylphenoxy)methyl]furan-2-carboxylate
CID 28913574
methyl 5-[(2-bromo-4-formylphenoxy)methyl]furan-2-carboxylate
CID 28913563
4-[(2-ethoxy-4-formylphenoxy)methyl]benzoate
CID 4745695
methyl 5-[[2-ethoxy-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]furan-2-carboxylate
CID 9014367
3-ethoxy-4-[(4-iodophenyl)methoxy]benzaldehyde
CID 43826418
methyl 5-[[2-ethoxy-4-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylate
CID 19660225
methyl 5-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 7654003
propan-2-yl 5-[(2-chloro-6-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate
CID 28913618
(2-ethoxy-4-formylphenyl) furan-2-carboxylate
CID 672303

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[(2-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate (CID 28913579) is ethyl 5-[(2-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[(2-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[(2-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate is CCOC(=O)c1ccc(COc2ccc(C=O)cc2OCC)o1.
What is the InChIKey of ethyl 5-[(2-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate?
The InChIKey is IHYACABDDOUTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O6/c1-3-20-16-9-12(10-18)5-7-14(16)22-11-13-6-8-15(23-13)17(19)21-4-2/h5-10H,3-4,11H2,1-2H3.
What are the key properties of ethyl 5-[(2-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate?
ethyl 5-[(2-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate has a molecular weight of 318.33 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate is sourced from PubChem (CID 28913579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).