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

C18H20O6 — CID 7997628

IUPACmethyl 5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)COc2c(C)cc(C)cc2C)o1
InChIInChI=1S/C18H20O6/c1-11-7-12(2)17(13(3)8-11)23-10-16(19)22-9-14-5-6-15(24-14)18(20)21-4/h5-8H,9-10H2,1-4H3
InChIKeyHPTGENVGCBOVRR-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.11
Rot. Bonds6

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

methyl 5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-2-carboxylate (PubChem CID 7997628) has the molecular formula C18H20O6 and a molecular weight of 332.35 g/mol. Its IUPAC name is methyl 5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-2-carboxylate
PubChem CID7997628
Molecular FormulaC18H20O6
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Namemethyl 5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)COc2c(C)cc(C)cc2C)o1
InChIInChI=1S/C18H20O6/c1-11-7-12(2)17(13(3)8-11)23-10-16(19)22-9-14-5-6-15(24-14)18(20)21-4/h5-8H,9-10H2,1-4H3
InChIKeyHPTGENVGCBOVRR-UHFFFAOYSA-N
XLogP3.11
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl 2-methyl-5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-3-carboxylate
CID 7997567
methyl 5-[[2-(4-bromophenoxy)acetyl]oxymethyl]furan-2-carboxylate
CID 2601508
methyl 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]furan-2-carboxylate
CID 7695683
methyl 5-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]oxymethyl]furan-2-carboxylate
CID 8732589
(4-cyanophenyl)methyl 2-(2,4,6-trimethylphenoxy)acetate
CID 7997786
methyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate
CID 4193916
methyl 5-[(3,5-dimethoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2516450
methyl 5-[(3,5-dichloro-4-methoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 9125878
methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate
CID 60810799
methyl 5-(ethoxymethyl)furan-2-carboxylate
CID 4193919
[5-[(2,4,6-trimethylphenoxy)methyl]furan-2-yl]methanamine
CID 82085819
methyl 5-[(2,6-dibromophenoxy)methyl]furan-2-carboxylate
CID 60594327

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-2-carboxylate (CID 7997628) is methyl 5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-2-carboxylate is COC(=O)c1ccc(COC(=O)COc2c(C)cc(C)cc2C)o1.
What is the InChIKey of methyl 5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-2-carboxylate?
The InChIKey is HPTGENVGCBOVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O6/c1-11-7-12(2)17(13(3)8-11)23-10-16(19)22-9-14-5-6-15(24-14)18(20)21-4/h5-8H,9-10H2,1-4H3.
What are the key properties of methyl 5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-2-carboxylate?
methyl 5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-2-carboxylate has a molecular weight of 332.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 7997628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).