methyl 2-[[3-(methoxymethyl)benzoyl]oxymethyl]furan-3-carboxylate

C16H16O6 — CID 55517459

IUPACmethyl 2-[[3-(methoxymethyl)benzoyl]oxymethyl]furan-3-carboxylate
SMILESCOCc1cccc(C(=O)OCc2occc2C(=O)OC)c1
InChIInChI=1S/C16H16O6/c1-19-9-11-4-3-5-12(8-11)15(17)22-10-14-13(6-7-21-14)16(18)20-2/h3-8H,9-10H2,1-2H3
InChIKeyKQTZUGCEUMDFNL-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.57
Rot. Bonds6

About methyl 2-[[3-(methoxymethyl)benzoyl]oxymethyl]furan-3-carboxylate

methyl 2-[[3-(methoxymethyl)benzoyl]oxymethyl]furan-3-carboxylate (PubChem CID 55517459) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is methyl 2-[[3-(methoxymethyl)benzoyl]oxymethyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[3-(methoxymethyl)benzoyl]oxymethyl]furan-3-carboxylate
PubChem CID55517459
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Namemethyl 2-[[3-(methoxymethyl)benzoyl]oxymethyl]furan-3-carboxylate
SMILESCOCc1cccc(C(=O)OCc2occc2C(=O)OC)c1
InChIInChI=1S/C16H16O6/c1-19-9-11-4-3-5-12(8-11)15(17)22-10-14-13(6-7-21-14)16(18)20-2/h3-8H,9-10H2,1-2H3
InChIKeyKQTZUGCEUMDFNL-UHFFFAOYSA-N
XLogP2.57
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

propyl 3-(methoxymethyl)benzoate
CID 78846700
2-oxopropyl 3-(methoxymethyl)benzoate
CID 55386027
methyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate
CID 54909153
methyl 2-[(1,4-dihydroxynaphthalene-2-carbonyl)oxymethyl]furan-3-carboxylate
CID 71898738
methyl 3-[(4-methylbenzoyl)oxymethyl]benzoate
CID 78759931
(4,6-diamino-1,3,5-triazin-2-yl)methyl 3-(methoxymethyl)benzoate
CID 8923474
methyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]oxymethyl]furan-3-carboxylate
CID 31120967
methyl 2-[2-(furan-2-carbonylamino)propanoyloxymethyl]furan-3-carboxylate
CID 42936087
[2-oxo-2-(3-phenylpropylamino)ethyl] 3-(methoxymethyl)benzoate
CID 33408284
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 3-(methoxymethyl)benzoate
CID 9064737
[2-oxo-2-(2-phenylethylamino)ethyl] 3-(methoxymethyl)benzoate
CID 9064756
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(methoxymethyl)benzoate
CID 9065160

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(methoxymethyl)benzoyl]oxymethyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[[3-(methoxymethyl)benzoyl]oxymethyl]furan-3-carboxylate (CID 55517459) is methyl 2-[[3-(methoxymethyl)benzoyl]oxymethyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[[3-(methoxymethyl)benzoyl]oxymethyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[[3-(methoxymethyl)benzoyl]oxymethyl]furan-3-carboxylate is COCc1cccc(C(=O)OCc2occc2C(=O)OC)c1.
What is the InChIKey of methyl 2-[[3-(methoxymethyl)benzoyl]oxymethyl]furan-3-carboxylate?
The InChIKey is KQTZUGCEUMDFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O6/c1-19-9-11-4-3-5-12(8-11)15(17)22-10-14-13(6-7-21-14)16(18)20-2/h3-8H,9-10H2,1-2H3.
What are the key properties of methyl 2-[[3-(methoxymethyl)benzoyl]oxymethyl]furan-3-carboxylate?
methyl 2-[[3-(methoxymethyl)benzoyl]oxymethyl]furan-3-carboxylate has a molecular weight of 304.30 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(methoxymethyl)benzoyl]oxymethyl]furan-3-carboxylate is sourced from PubChem (CID 55517459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).