methyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]propanoate

C15H14O5 — CID 3063112

IUPACmethyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]propanoate
SMILESCOC(=O)C(C)c1ccc(Oc2ccc(C=O)o2)cc1
InChIInChI=1S/C15H14O5/c1-10(15(17)18-2)11-3-5-12(6-4-11)19-14-8-7-13(9-16)20-14/h3-10H,1-2H3
InChIKeyKUTZTFKLEPHZBW-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.16
Rot. Bonds5

About methyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]propanoate

methyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]propanoate (PubChem CID 3063112) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is methyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]propanoate
PubChem CID3063112
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Namemethyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]propanoate
SMILESCOC(=O)C(C)c1ccc(Oc2ccc(C=O)o2)cc1
InChIInChI=1S/C15H14O5/c1-10(15(17)18-2)11-3-5-12(6-4-11)19-14-8-7-13(9-16)20-14/h3-10H,1-2H3
InChIKeyKUTZTFKLEPHZBW-UHFFFAOYSA-N
XLogP3.16
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]propanoate?
The IUPAC name of methyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]propanoate (CID 3063112) is methyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]propanoate.
What is the SMILES notation for methyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]propanoate?
The canonical SMILES for methyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]propanoate is COC(=O)C(C)c1ccc(Oc2ccc(C=O)o2)cc1.
What is the InChIKey of methyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]propanoate?
The InChIKey is KUTZTFKLEPHZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c1-10(15(17)18-2)11-3-5-12(6-4-11)19-14-8-7-13(9-16)20-14/h3-10H,1-2H3.
What are the key properties of methyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]propanoate?
methyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]propanoate has a molecular weight of 274.27 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]propanoate is sourced from PubChem (CID 3063112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).