methyl 5-[[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate

C15H15NO6 — CID 6883519

IUPACmethyl 5-[[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc(/C=N/O)cc2OC)o1
InChIInChI=1S/C15H15NO6/c1-19-14-7-10(8-16-18)3-5-12(14)21-9-11-4-6-13(22-11)15(17)20-2/h3-8,18H,9H2,1-2H3/b16-8+
InChIKeyJRQXYLHJFNQJQN-LZYBPNLTSA-N
MW305.29 g/mol
LogP2.46
Rot. Bonds6

About methyl 5-[[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate

methyl 5-[[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate (PubChem CID 6883519) has the molecular formula C15H15NO6 and a molecular weight of 305.29 g/mol. Its IUPAC name is methyl 5-[[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate
PubChem CID6883519
Molecular FormulaC15H15NO6
Molecular Weight305.29 g/mol
Exact Mass305.09
IUPAC Namemethyl 5-[[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc(/C=N/O)cc2OC)o1
InChIInChI=1S/C15H15NO6/c1-19-14-7-10(8-16-18)3-5-12(14)21-9-11-4-6-13(22-11)15(17)20-2/h3-8,18H,9H2,1-2H3/b16-8+
InChIKeyJRQXYLHJFNQJQN-LZYBPNLTSA-N
XLogP2.46
TPSA90.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate (CID 6883519) is methyl 5-[[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate is COC(=O)c1ccc(COc2ccc(/C=N/O)cc2OC)o1.
What is the InChIKey of methyl 5-[[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate?
The InChIKey is JRQXYLHJFNQJQN-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H15NO6/c1-19-14-7-10(8-16-18)3-5-12(14)21-9-11-4-6-13(22-11)15(17)20-2/h3-8,18H,9H2,1-2H3/b16-8+.
What are the key properties of methyl 5-[[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate?
methyl 5-[[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate has a molecular weight of 305.29 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate is sourced from PubChem (CID 6883519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).