ethyl 5-[[4-(methoxymethyl)phenoxy]methyl]furan-2-carboxylate

C16H18O5 — CID 10017085

IUPACethyl 5-[[4-(methoxymethyl)phenoxy]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(COc2ccc(COC)cc2)o1
InChIInChI=1S/C16H18O5/c1-3-19-16(17)15-9-8-14(21-15)11-20-13-6-4-12(5-7-13)10-18-2/h4-9H,3,10-11H2,1-2H3
InChIKeyJGMQJBUHLODYFZ-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.18
Rot. Bonds7

About ethyl 5-[[4-(methoxymethyl)phenoxy]methyl]furan-2-carboxylate

ethyl 5-[[4-(methoxymethyl)phenoxy]methyl]furan-2-carboxylate (PubChem CID 10017085) has the molecular formula C16H18O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 5-[[4-(methoxymethyl)phenoxy]methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[4-(methoxymethyl)phenoxy]methyl]furan-2-carboxylate
PubChem CID10017085
Molecular FormulaC16H18O5
Molecular Weight290.32 g/mol
Exact Mass290.12
IUPAC Nameethyl 5-[[4-(methoxymethyl)phenoxy]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(COc2ccc(COC)cc2)o1
InChIInChI=1S/C16H18O5/c1-3-19-16(17)15-9-8-14(21-15)11-20-13-6-4-12(5-7-13)10-18-2/h4-9H,3,10-11H2,1-2H3
InChIKeyJGMQJBUHLODYFZ-UHFFFAOYSA-N
XLogP3.18
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 5104781
ethyl 5-[[4-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenoxy]methyl]furan-2-carboxylate
CID 98213487
(4-methylphenyl) 5-(methoxymethyl)furan-2-carboxylate
CID 78824404
ethyl 5-[(2-formylphenoxy)methyl]furan-2-carboxylate
CID 28913574
methyl 5-[[4-(4-chlorobenzoyl)phenoxy]methyl]furan-2-carboxylate
CID 7919225
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 46789677
ethyl 5-[(5-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylate
CID 28913576
ethyl 5-(2,2-dimethylpropyl)furan-2-carboxylate
CID 59637083
ethyl (4S)-4-methyl-2-oxo-6-[[5-(phenoxymethyl)furan-2-carbonyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7468752
(5-methyl-1,2-oxazol-3-yl)methyl 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 28572250
[2-(2-methoxyethylamino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7892996
ethyl 5-[(2-methoxyethylamino)methyl]furan-2-carboxylate
CID 115904417

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[4-(methoxymethyl)phenoxy]methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[[4-(methoxymethyl)phenoxy]methyl]furan-2-carboxylate (CID 10017085) is ethyl 5-[[4-(methoxymethyl)phenoxy]methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[[4-(methoxymethyl)phenoxy]methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[[4-(methoxymethyl)phenoxy]methyl]furan-2-carboxylate is CCOC(=O)c1ccc(COc2ccc(COC)cc2)o1.
What is the InChIKey of ethyl 5-[[4-(methoxymethyl)phenoxy]methyl]furan-2-carboxylate?
The InChIKey is JGMQJBUHLODYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5/c1-3-19-16(17)15-9-8-14(21-15)11-20-13-6-4-12(5-7-13)10-18-2/h4-9H,3,10-11H2,1-2H3.
What are the key properties of ethyl 5-[[4-(methoxymethyl)phenoxy]methyl]furan-2-carboxylate?
ethyl 5-[[4-(methoxymethyl)phenoxy]methyl]furan-2-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[4-(methoxymethyl)phenoxy]methyl]furan-2-carboxylate is sourced from PubChem (CID 10017085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).