methyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate

C15H16O5 — CID 4193916

IUPACmethyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc(C)cc2OC)o1
InChIInChI=1S/C15H16O5/c1-10-4-6-12(14(8-10)17-2)19-9-11-5-7-13(20-11)15(16)18-3/h4-8H,9H2,1-3H3
InChIKeyKWYKONYAFYCXEX-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.96
Rot. Bonds5

About methyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate

methyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate (PubChem CID 4193916) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is methyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate
PubChem CID4193916
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Namemethyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc(C)cc2OC)o1
InChIInChI=1S/C15H16O5/c1-10-4-6-12(14(8-10)17-2)19-9-11-5-7-13(20-11)15(16)18-3/h4-8H,9H2,1-3H3
InChIKeyKWYKONYAFYCXEX-UHFFFAOYSA-N
XLogP2.96
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]furan-2-carboxylate
CID 7695683
methyl 5-[[4-(3-acetylsulfanylprop-1-enyl)-2-methoxyphenoxy]methyl]furan-2-carboxylate
CID 169458360
methyl 5-[[4-[2-cyano-3-(3,5-dimethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate
CID 3905730
N-(2-acetyl-4,5-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19580036
methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate
CID 950139
5-[[2-methoxy-4-[[(2-methoxy-4-methylbenzoyl)hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylic acid
CID 3501594
methyl 5-[(2-acetyl-4-fluorophenoxy)methyl]furan-2-carboxylate
CID 112787676
methyl 5-[[2-methoxy-4-[[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]furan-2-carboxylate
CID 4030918
methyl 5-[[4-[[(2-hydroxy-3-methylbenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate
CID 4680787
methyl 5-[[4-[(Z)-(1,3-dioxoisoquinolin-4-ylidene)methyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate
CID 47013724
5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 19452910
methyl 5-[(2-bromo-4-formylphenoxy)methyl]furan-2-carboxylate
CID 28913563

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate (CID 4193916) is methyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate is COC(=O)c1ccc(COc2ccc(C)cc2OC)o1.
What is the InChIKey of methyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate?
The InChIKey is KWYKONYAFYCXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-10-4-6-12(14(8-10)17-2)19-9-11-5-7-13(20-11)15(16)18-3/h4-8H,9H2,1-3H3.
What are the key properties of methyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate?
methyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate has a molecular weight of 276.29 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate is sourced from PubChem (CID 4193916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).