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

C15H14O6 — CID 169333225

IUPACmethyl 2-[4-(5-formylfuran-2-yl)-2-methoxyphenoxy]acetate
SMILESCOC(=O)COc1ccc(-c2ccc(C=O)o2)cc1OC
InChIInChI=1S/C15H14O6/c1-18-14-7-10(12-6-4-11(8-16)21-12)3-5-13(14)20-9-15(17)19-2/h3-8H,9H2,1-2H3
InChIKeyCJYMWWIVWWTFJL-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.32
Rot. Bonds6

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

methyl 2-[4-(5-formylfuran-2-yl)-2-methoxyphenoxy]acetate (PubChem CID 169333225) has the molecular formula C15H14O6 and a molecular weight of 290.27 g/mol. Its IUPAC name is methyl 2-[4-(5-formylfuran-2-yl)-2-methoxyphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(5-formylfuran-2-yl)-2-methoxyphenoxy]acetate
PubChem CID169333225
Molecular FormulaC15H14O6
Molecular Weight290.27 g/mol
Exact Mass290.08
IUPAC Namemethyl 2-[4-(5-formylfuran-2-yl)-2-methoxyphenoxy]acetate
SMILESCOC(=O)COc1ccc(-c2ccc(C=O)o2)cc1OC
InChIInChI=1S/C15H14O6/c1-18-14-7-10(12-6-4-11(8-16)21-12)3-5-13(14)20-9-15(17)19-2/h3-8H,9H2,1-2H3
InChIKeyCJYMWWIVWWTFJL-UHFFFAOYSA-N
XLogP2.32
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
5-(3-iodo-4-methoxyphenyl)furan-2-carbaldehyde
CID 169331838
5-[3-fluoro-4-(2-methoxyethoxy)phenyl]furan-2-carbaldehyde
CID 169334200
5-[3-(difluoromethoxy)-4-methoxyphenyl]furan-2-carbaldehyde
CID 169335432
5-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde
CID 169333423
5-(3-ethoxy-4-formylphenyl)furan-2-carbaldehyde
CID 145228205
5-[3-fluoro-4-(2-methylpropoxy)phenyl]furan-2-carbaldehyde
CID 169334432
methyl 2-(4-ethenyl-2-methoxyphenoxy)acetate
CID 167145651
2-[2-methoxy-4-[(E)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenoxy]acetic acid
CID 16959797
2,4-dichloro-N-[[5-(5-formylfuran-2-yl)-2-methoxyphenyl]methyl]benzamide
CID 89092764
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-(5-formylfuran-2-yl)benzoate
CID 126178671
methyl 2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetate
CID 60882991

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(5-formylfuran-2-yl)-2-methoxyphenoxy]acetate?
The IUPAC name of methyl 2-[4-(5-formylfuran-2-yl)-2-methoxyphenoxy]acetate (CID 169333225) is methyl 2-[4-(5-formylfuran-2-yl)-2-methoxyphenoxy]acetate.
What is the SMILES notation for methyl 2-[4-(5-formylfuran-2-yl)-2-methoxyphenoxy]acetate?
The canonical SMILES for methyl 2-[4-(5-formylfuran-2-yl)-2-methoxyphenoxy]acetate is COC(=O)COc1ccc(-c2ccc(C=O)o2)cc1OC.
What is the InChIKey of methyl 2-[4-(5-formylfuran-2-yl)-2-methoxyphenoxy]acetate?
The InChIKey is CJYMWWIVWWTFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O6/c1-18-14-7-10(12-6-4-11(8-16)21-12)3-5-13(14)20-9-15(17)19-2/h3-8H,9H2,1-2H3.
What are the key properties of methyl 2-[4-(5-formylfuran-2-yl)-2-methoxyphenoxy]acetate?
methyl 2-[4-(5-formylfuran-2-yl)-2-methoxyphenoxy]acetate has a molecular weight of 290.27 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(5-formylfuran-2-yl)-2-methoxyphenoxy]acetate is sourced from PubChem (CID 169333225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).