(2-ethoxy-4-formylphenyl) furan-2-carboxylate

C14H12O5 — CID 672303

IUPAC(2-ethoxy-4-formylphenyl) furan-2-carboxylate
SMILESCCOc1cc(C=O)ccc1OC(=O)c1ccco1
InChIInChI=1S/C14H12O5/c1-2-17-13-8-10(9-15)5-6-11(13)19-14(16)12-4-3-7-18-12/h3-9H,2H2,1H3
InChIKeyMKLYKPSRZZUUDT-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.71
Rot. Bonds5

About (2-ethoxy-4-formylphenyl) furan-2-carboxylate

(2-ethoxy-4-formylphenyl) furan-2-carboxylate (PubChem CID 672303) has the molecular formula C14H12O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is (2-ethoxy-4-formylphenyl) furan-2-carboxylate.

Molecular Properties

Compound Name(2-ethoxy-4-formylphenyl) furan-2-carboxylate
PubChem CID672303
Molecular FormulaC14H12O5
Molecular Weight260.25 g/mol
Exact Mass260.07
IUPAC Name(2-ethoxy-4-formylphenyl) furan-2-carboxylate
SMILESCCOc1cc(C=O)ccc1OC(=O)c1ccco1
InChIInChI=1S/C14H12O5/c1-2-17-13-8-10(9-15)5-6-11(13)19-14(16)12-4-3-7-18-12/h3-9H,2H2,1H3
InChIKeyMKLYKPSRZZUUDT-UHFFFAOYSA-N
XLogP2.71
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-ethoxy-4-methanehydrazonoylphenyl) furan-2-carboxylate
CID 168530496
(2-ethoxy-4-formylphenyl) 2-ethoxybenzoate
CID 23011379
[2-ethoxy-4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 1243915
(2-ethoxy-4-formylphenyl) 3-bromo-4-ethoxybenzoate
CID 23013422
[2-ethoxy-4-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] furan-2-carboxylate
CID 1232667
[2-ethoxy-4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] furan-2-carboxylate
CID 2935672
[2-ethoxy-4-[(E)-[2-(3-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] furan-2-carboxylate
CID 2279793
[4-(hydroxyiminomethyl)-2-methoxyphenyl] furan-2-carboxylate
CID 23822868
(2-ethoxy-4-formylphenyl) 2-thiophen-2-ylacetate
CID 39199725
[4-[(E)-[[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] furan-2-carboxylate
CID 43907026
(3-formylphenyl) furan-2-carboxylate
CID 565183
ethyl 5-[(2-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate
CID 28913579

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-4-formylphenyl) furan-2-carboxylate?
The IUPAC name of (2-ethoxy-4-formylphenyl) furan-2-carboxylate (CID 672303) is (2-ethoxy-4-formylphenyl) furan-2-carboxylate.
What is the SMILES notation for (2-ethoxy-4-formylphenyl) furan-2-carboxylate?
The canonical SMILES for (2-ethoxy-4-formylphenyl) furan-2-carboxylate is CCOc1cc(C=O)ccc1OC(=O)c1ccco1.
What is the InChIKey of (2-ethoxy-4-formylphenyl) furan-2-carboxylate?
The InChIKey is MKLYKPSRZZUUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5/c1-2-17-13-8-10(9-15)5-6-11(13)19-14(16)12-4-3-7-18-12/h3-9H,2H2,1H3.
What are the key properties of (2-ethoxy-4-formylphenyl) furan-2-carboxylate?
(2-ethoxy-4-formylphenyl) furan-2-carboxylate has a molecular weight of 260.25 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-4-formylphenyl) furan-2-carboxylate is sourced from PubChem (CID 672303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).