methyl 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]furan-2-carboxylate

C16H18O6 — CID 7695683

IUPACmethyl 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2c(OC)cc(C)cc2OC)o1
InChIInChI=1S/C16H18O6/c1-10-7-13(18-2)15(14(8-10)19-3)21-9-11-5-6-12(22-11)16(17)20-4/h5-8H,9H2,1-4H3
InChIKeyLTJJDZJABCLVOB-UHFFFAOYSA-N
MW306.31 g/mol
LogP2.97
Rot. Bonds6

About methyl 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]furan-2-carboxylate

methyl 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]furan-2-carboxylate (PubChem CID 7695683) has the molecular formula C16H18O6 and a molecular weight of 306.31 g/mol. Its IUPAC name is methyl 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]furan-2-carboxylate
PubChem CID7695683
Molecular FormulaC16H18O6
Molecular Weight306.31 g/mol
Exact Mass306.11
IUPAC Namemethyl 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2c(OC)cc(C)cc2OC)o1
InChIInChI=1S/C16H18O6/c1-10-7-13(18-2)15(14(8-10)19-3)21-9-11-5-6-12(22-11)16(17)20-4/h5-8H,9H2,1-4H3
InChIKeyLTJJDZJABCLVOB-UHFFFAOYSA-N
XLogP2.97
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate
CID 4193916
methyl 5-[(2,6-dibromophenoxy)methyl]furan-2-carboxylate
CID 60594327
methyl 5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-2-carboxylate
CID 7997628
methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate
CID 950139
methyl 5-[(6-chloro-4-methyl-2-oxochromen-7-yl)oxymethyl]furan-2-carboxylate
CID 5124704
methyl 5-[(2,3,4-trimethoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2522067
methyl 5-(ethoxymethyl)furan-2-carboxylate
CID 4193919
methyl 5-[(2-acetyl-4-fluorophenoxy)methyl]furan-2-carboxylate
CID 112787676
methyl 5-[[4-[2-cyano-3-(3,5-dimethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate
CID 3905730
methyl 5-[[2,6-dimethoxy-4-[(E)-[5-sulfanylidene-3-(trifluoromethyl)-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]methyl]furan-2-carboxylate
CID 17021535
methyl 5-[[2,6-dimethoxy-4-[(Z)-[5-sulfanylidene-3-(trifluoromethyl)-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]methyl]furan-2-carboxylate
CID 6314006
methyl 5-[[2,6-dimethoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylate
CID 168576697

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]furan-2-carboxylate (CID 7695683) is methyl 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]furan-2-carboxylate is COC(=O)c1ccc(COc2c(OC)cc(C)cc2OC)o1.
What is the InChIKey of methyl 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]furan-2-carboxylate?
The InChIKey is LTJJDZJABCLVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O6/c1-10-7-13(18-2)15(14(8-10)19-3)21-9-11-5-6-12(22-11)16(17)20-4/h5-8H,9H2,1-4H3.
What are the key properties of methyl 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]furan-2-carboxylate?
methyl 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]furan-2-carboxylate has a molecular weight of 306.31 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]furan-2-carboxylate is sourced from PubChem (CID 7695683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).