methyl 5-[(4-methoxycarbonylphenoxy)methyl]-2-methylfuran-3-carboxylate

C16H16O6 — CID 9019518

IUPACmethyl 5-[(4-methoxycarbonylphenoxy)methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1ccc(OCc2cc(C(=O)OC)c(C)o2)cc1
InChIInChI=1S/C16H16O6/c1-10-14(16(18)20-3)8-13(22-10)9-21-12-6-4-11(5-7-12)15(17)19-2/h4-8H,9H2,1-3H3
InChIKeyIOFUZUKHZCDXGO-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.74
Rot. Bonds5

About methyl 5-[(4-methoxycarbonylphenoxy)methyl]-2-methylfuran-3-carboxylate

methyl 5-[(4-methoxycarbonylphenoxy)methyl]-2-methylfuran-3-carboxylate (PubChem CID 9019518) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is methyl 5-[(4-methoxycarbonylphenoxy)methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-methoxycarbonylphenoxy)methyl]-2-methylfuran-3-carboxylate
PubChem CID9019518
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Namemethyl 5-[(4-methoxycarbonylphenoxy)methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1ccc(OCc2cc(C(=O)OC)c(C)o2)cc1
InChIInChI=1S/C16H16O6/c1-10-14(16(18)20-3)8-13(22-10)9-21-12-6-4-11(5-7-12)15(17)19-2/h4-8H,9H2,1-3H3
InChIKeyIOFUZUKHZCDXGO-UHFFFAOYSA-N
XLogP2.74
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[(4-acetylphenoxy)methyl]-2-methylfuran-3-carboxylate
CID 78767749
methyl 5-[[4-(aminomethyl)phenoxy]methyl]-2-methylfuran-3-carboxylate
CID 106484958
methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]oxymethyl]-2-methylfuran-3-carboxylate
CID 7625888
methyl 2-methyl-5-[[4-(trifluoromethoxy)benzoyl]oxymethyl]furan-3-carboxylate
CID 2097734
methyl 5-[(4-chlorobenzoyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 2481052
methyl 2-methyl-5-[(4-morpholin-4-ylsulfonylphenoxy)methyl]furan-3-carboxylate
CID 9331544
methyl 2-methyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]furan-3-carboxylate
CID 7705728
methyl 5-[[4-(difluoromethylsulfonyl)benzoyl]oxymethyl]-2-methylfuran-3-carboxylate
CID 7679809
methyl 2-methyl-5-[[4-(5-methylpyrazol-1-yl)benzoyl]oxymethyl]furan-3-carboxylate
CID 8553043
methyl 5-[(3-hydroxynaphthalene-2-carbonyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 7812111
methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 23631878
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-methoxycarbonylphenoxy)methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[(4-methoxycarbonylphenoxy)methyl]-2-methylfuran-3-carboxylate (CID 9019518) is methyl 5-[(4-methoxycarbonylphenoxy)methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[(4-methoxycarbonylphenoxy)methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[(4-methoxycarbonylphenoxy)methyl]-2-methylfuran-3-carboxylate is COC(=O)c1ccc(OCc2cc(C(=O)OC)c(C)o2)cc1.
What is the InChIKey of methyl 5-[(4-methoxycarbonylphenoxy)methyl]-2-methylfuran-3-carboxylate?
The InChIKey is IOFUZUKHZCDXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O6/c1-10-14(16(18)20-3)8-13(22-10)9-21-12-6-4-11(5-7-12)15(17)19-2/h4-8H,9H2,1-3H3.
What are the key properties of methyl 5-[(4-methoxycarbonylphenoxy)methyl]-2-methylfuran-3-carboxylate?
methyl 5-[(4-methoxycarbonylphenoxy)methyl]-2-methylfuran-3-carboxylate has a molecular weight of 304.30 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-methoxycarbonylphenoxy)methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 9019518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).