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

C14H12O5 — CID 3063111

IUPACmethyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]acetate
SMILESCOC(=O)Cc1ccc(Oc2ccc(C=O)o2)cc1
InChIInChI=1S/C14H12O5/c1-17-13(16)8-10-2-4-11(5-3-10)18-14-7-6-12(9-15)19-14/h2-7,9H,8H2,1H3
InChIKeyHVYOAAMXDAPPLF-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.60
Rot. Bonds5

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

methyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]acetate (PubChem CID 3063111) has the molecular formula C14H12O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is methyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]acetate
PubChem CID3063111
Molecular FormulaC14H12O5
Molecular Weight260.25 g/mol
Exact Mass260.07
IUPAC Namemethyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]acetate
SMILESCOC(=O)Cc1ccc(Oc2ccc(C=O)o2)cc1
InChIInChI=1S/C14H12O5/c1-17-13(16)8-10-2-4-11(5-3-10)18-14-7-6-12(9-15)19-14/h2-7,9H,8H2,1H3
InChIKeyHVYOAAMXDAPPLF-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
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]acetate?
The IUPAC name of methyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]acetate (CID 3063111) is methyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]acetate.
What is the SMILES notation for methyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]acetate?
The canonical SMILES for methyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]acetate is COC(=O)Cc1ccc(Oc2ccc(C=O)o2)cc1.
What is the InChIKey of methyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]acetate?
The InChIKey is HVYOAAMXDAPPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5/c1-17-13(16)8-10-2-4-11(5-3-10)18-14-7-6-12(9-15)19-14/h2-7,9H,8H2,1H3.
What are the key properties of methyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]acetate?
methyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]acetate has a molecular weight of 260.25 g/mol, XLogP of 2.60, 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]acetate is sourced from PubChem (CID 3063111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).