methyl 5-[(4-cyanophenoxy)methyl]furan-2-carboxylate

C14H11NO4 — CID 948965

IUPACmethyl 5-[(4-cyanophenoxy)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc(C#N)cc2)o1
InChIInChI=1S/C14H11NO4/c1-17-14(16)13-7-6-12(19-13)9-18-11-4-2-10(8-15)3-5-11/h2-7H,9H2,1H3
InChIKeyOKPUMERWJRCRRJ-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.52
Rot. Bonds4

About methyl 5-[(4-cyanophenoxy)methyl]furan-2-carboxylate

methyl 5-[(4-cyanophenoxy)methyl]furan-2-carboxylate (PubChem CID 948965) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is methyl 5-[(4-cyanophenoxy)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-cyanophenoxy)methyl]furan-2-carboxylate
PubChem CID948965
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Namemethyl 5-[(4-cyanophenoxy)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc(C#N)cc2)o1
InChIInChI=1S/C14H11NO4/c1-17-14(16)13-7-6-12(19-13)9-18-11-4-2-10(8-15)3-5-11/h2-7H,9H2,1H3
InChIKeyOKPUMERWJRCRRJ-UHFFFAOYSA-N
XLogP2.52
TPSA72.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-cyanophenoxy)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(4-cyanophenoxy)methyl]furan-2-carboxylate (CID 948965) is methyl 5-[(4-cyanophenoxy)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(4-cyanophenoxy)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(4-cyanophenoxy)methyl]furan-2-carboxylate is COC(=O)c1ccc(COc2ccc(C#N)cc2)o1.
What is the InChIKey of methyl 5-[(4-cyanophenoxy)methyl]furan-2-carboxylate?
The InChIKey is OKPUMERWJRCRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-17-14(16)13-7-6-12(19-13)9-18-11-4-2-10(8-15)3-5-11/h2-7H,9H2,1H3.
What are the key properties of methyl 5-[(4-cyanophenoxy)methyl]furan-2-carboxylate?
methyl 5-[(4-cyanophenoxy)methyl]furan-2-carboxylate has a molecular weight of 257.25 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-cyanophenoxy)methyl]furan-2-carboxylate is sourced from PubChem (CID 948965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).