methyl 2-methyl-5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-3-carboxylate

C19H22O6 — CID 7997567

IUPACmethyl 2-methyl-5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(COC(=O)COc2c(C)cc(C)cc2C)oc1C
InChIInChI=1S/C19H22O6/c1-11-6-12(2)18(13(3)7-11)24-10-17(20)23-9-15-8-16(14(4)25-15)19(21)22-5/h6-8H,9-10H2,1-5H3
InChIKeyIZOOAMSETJOPHG-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.42
Rot. Bonds6

About methyl 2-methyl-5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-3-carboxylate

methyl 2-methyl-5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-3-carboxylate (PubChem CID 7997567) has the molecular formula C19H22O6 and a molecular weight of 346.38 g/mol. Its IUPAC name is methyl 2-methyl-5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-3-carboxylate
PubChem CID7997567
Molecular FormulaC19H22O6
Molecular Weight346.38 g/mol
Exact Mass346.14
IUPAC Namemethyl 2-methyl-5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(COC(=O)COc2c(C)cc(C)cc2C)oc1C
InChIInChI=1S/C19H22O6/c1-11-6-12(2)18(13(3)7-11)24-10-17(20)23-9-15-8-16(14(4)25-15)19(21)22-5/h6-8H,9-10H2,1-5H3
InChIKeyIZOOAMSETJOPHG-UHFFFAOYSA-N
XLogP3.42
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-2-carboxylate
CID 7997628
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methylpyrazine-2-carboxylate
CID 18777229
methyl 5-[(4-chlorobenzoyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 2481052
methyl 5-[(4-methoxycarbonylphenoxy)methyl]-2-methylfuran-3-carboxylate
CID 9019518
methyl 5-[[4-(aminomethyl)phenoxy]methyl]-2-methylfuran-3-carboxylate
CID 106484958
methyl 5-[(3,5-dimethylanilino)methyl]-2-methylfuran-3-carboxylate
CID 43222394
methyl 5-[3-(4-chlorophenyl)sulfonylpropanoyloxymethyl]-2-methylfuran-3-carboxylate
CID 9491362
methyl 5-[(4-acetylphenoxy)methyl]-2-methylfuran-3-carboxylate
CID 78767749
methyl 5-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]oxymethyl]-2-methylfuran-3-carboxylate
CID 7995690
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 30096308
methyl 5-[(3-hydroxynaphthalene-2-carbonyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 7812111
methyl 5-(adamantane-1-carbonyloxymethyl)-2-methylfuran-3-carboxylate
CID 7867022

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-3-carboxylate (CID 7997567) is methyl 2-methyl-5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-3-carboxylate is COC(=O)c1cc(COC(=O)COc2c(C)cc(C)cc2C)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-3-carboxylate?
The InChIKey is IZOOAMSETJOPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O6/c1-11-6-12(2)18(13(3)7-11)24-10-17(20)23-9-15-8-16(14(4)25-15)19(21)22-5/h6-8H,9-10H2,1-5H3.
What are the key properties of methyl 2-methyl-5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-3-carboxylate?
methyl 2-methyl-5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-3-carboxylate has a molecular weight of 346.38 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-3-carboxylate is sourced from PubChem (CID 7997567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).