ethyl 5-[(5-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylate

C16H16O6 — CID 28913576

IUPACethyl 5-[(5-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(COc2cc(C=O)ccc2OC)o1
InChIInChI=1S/C16H16O6/c1-3-20-16(18)14-7-5-12(22-14)10-21-15-8-11(9-17)4-6-13(15)19-2/h4-9H,3,10H2,1-2H3
InChIKeyIQKSFYWNSBYGSE-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.86
Rot. Bonds7

About ethyl 5-[(5-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylate

ethyl 5-[(5-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylate (PubChem CID 28913576) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is ethyl 5-[(5-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(5-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylate
PubChem CID28913576
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Nameethyl 5-[(5-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(COc2cc(C=O)ccc2OC)o1
InChIInChI=1S/C16H16O6/c1-3-20-16(18)14-7-5-12(22-14)10-21-15-8-11(9-17)4-6-13(15)19-2/h4-9H,3,10H2,1-2H3
InChIKeyIQKSFYWNSBYGSE-UHFFFAOYSA-N
XLogP2.86
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.86
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-[(2-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate
CID 28913579
5-[(4-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylic acid
CID 1266840
methyl 5-[(2-bromo-4-formylphenoxy)methyl]furan-2-carboxylate
CID 28913563
ethyl 5-[(2-formylphenoxy)methyl]furan-2-carboxylate
CID 28913574
methyl 5-[(2-ethoxy-4-methanehydrazonoylphenoxy)methyl]furan-2-carboxylate
CID 78678985
methyl 5-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 7654003
methyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate
CID 4193916
ethyl 5-[[4-(methoxymethyl)phenoxy]methyl]furan-2-carboxylate
CID 10017085
ethyl 3-[(4-formyl-2-methoxyphenoxy)methyl]-1-benzofuran-2-carboxylate
CID 39411894
3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 876941
ethyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 968872
methyl 5-[[4-(3-acetylsulfanylprop-1-enyl)-2-methoxyphenoxy]methyl]furan-2-carboxylate
CID 169458360

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(5-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[(5-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylate (CID 28913576) is ethyl 5-[(5-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[(5-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[(5-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylate is CCOC(=O)c1ccc(COc2cc(C=O)ccc2OC)o1.
What is the InChIKey of ethyl 5-[(5-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylate?
The InChIKey is IQKSFYWNSBYGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O6/c1-3-20-16(18)14-7-5-12(22-14)10-21-15-8-11(9-17)4-6-13(15)19-2/h4-9H,3,10H2,1-2H3.
What are the key properties of ethyl 5-[(5-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylate?
ethyl 5-[(5-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylate has a molecular weight of 304.30 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(5-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylate is sourced from PubChem (CID 28913576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).