ethyl 4-(5-formylfuran-2-yl)benzoate

C14H12O4 — CID 608139

IUPACethyl 4-(5-formylfuran-2-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(C=O)o2)cc1
InChIInChI=1S/C14H12O4/c1-2-17-14(16)11-5-3-10(4-6-11)13-8-7-12(9-15)18-13/h3-9H,2H2,1H3
InChIKeyUWLKFGFYBKJASW-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.94
Rot. Bonds4

About ethyl 4-(5-formylfuran-2-yl)benzoate

ethyl 4-(5-formylfuran-2-yl)benzoate (PubChem CID 608139) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is ethyl 4-(5-formylfuran-2-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(5-formylfuran-2-yl)benzoate
PubChem CID608139
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Nameethyl 4-(5-formylfuran-2-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(C=O)o2)cc1
InChIInChI=1S/C14H12O4/c1-2-17-14(16)11-5-3-10(4-6-11)13-8-7-12(9-15)18-13/h3-9H,2H2,1H3
InChIKeyUWLKFGFYBKJASW-UHFFFAOYSA-N
XLogP2.94
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-formylfuran-2-yl)benzoate?
The IUPAC name of ethyl 4-(5-formylfuran-2-yl)benzoate (CID 608139) is ethyl 4-(5-formylfuran-2-yl)benzoate.
What is the SMILES notation for ethyl 4-(5-formylfuran-2-yl)benzoate?
The canonical SMILES for ethyl 4-(5-formylfuran-2-yl)benzoate is CCOC(=O)c1ccc(-c2ccc(C=O)o2)cc1.
What is the InChIKey of ethyl 4-(5-formylfuran-2-yl)benzoate?
The InChIKey is UWLKFGFYBKJASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-2-17-14(16)11-5-3-10(4-6-11)13-8-7-12(9-15)18-13/h3-9H,2H2,1H3.
What are the key properties of ethyl 4-(5-formylfuran-2-yl)benzoate?
ethyl 4-(5-formylfuran-2-yl)benzoate has a molecular weight of 244.25 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-formylfuran-2-yl)benzoate is sourced from PubChem (CID 608139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).