methyl 5-[1-(3-ethoxyphenoxy)ethyl]furan-2-carboxylate

C16H18O5 — CID 79086049

IUPACmethyl 5-[1-(3-ethoxyphenoxy)ethyl]furan-2-carboxylate
SMILESCCOc1cccc(OC(C)c2ccc(C(=O)OC)o2)c1
InChIInChI=1S/C16H18O5/c1-4-19-12-6-5-7-13(10-12)20-11(2)14-8-9-15(21-14)16(17)18-3/h5-11H,4H2,1-3H3
InChIKeyULIAPOHTNMARRM-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.60
Rot. Bonds6

About methyl 5-[1-(3-ethoxyphenoxy)ethyl]furan-2-carboxylate

methyl 5-[1-(3-ethoxyphenoxy)ethyl]furan-2-carboxylate (PubChem CID 79086049) has the molecular formula C16H18O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 5-[1-(3-ethoxyphenoxy)ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(3-ethoxyphenoxy)ethyl]furan-2-carboxylate
PubChem CID79086049
Molecular FormulaC16H18O5
Molecular Weight290.32 g/mol
Exact Mass290.12
IUPAC Namemethyl 5-[1-(3-ethoxyphenoxy)ethyl]furan-2-carboxylate
SMILESCCOc1cccc(OC(C)c2ccc(C(=O)OC)o2)c1
InChIInChI=1S/C16H18O5/c1-4-19-12-6-5-7-13(10-12)20-11(2)14-8-9-15(21-14)16(17)18-3/h5-11H,4H2,1-3H3
InChIKeyULIAPOHTNMARRM-UHFFFAOYSA-N
XLogP3.60
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(4-ethoxyphenoxy)ethyl]furan-2-carboxylic acid
CID 22680826
methyl 5-[1-(4-carbamoylphenoxy)ethyl]furan-2-carboxylate
CID 79085923
methyl 2-(3-ethoxyphenoxy)propanoate
CID 62338439
methyl 5-[1-(3-bromo-4-fluorophenoxy)ethyl]furan-2-carboxylate
CID 83231703
5-[1-(3-propan-2-ylphenoxy)ethyl]furan-2-carboxylic acid
CID 20988808
methyl 3-ethoxybenzoate
CID 3267781
2-[(3-ethoxyphenyl)methylamino]propanoic acid
CID 61499824
methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate
CID 82758761
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
methyl 5-[2-(3-bromophenyl)-1-hydroxyethyl]furan-2-carboxylate
CID 106947176
(3-methoxycarbonylphenyl) 3-ethoxybenzoate
CID 4981603
methyl 5-(1-butylsulfanylethyl)furan-2-carboxylate
CID 112726651

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(3-ethoxyphenoxy)ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-(3-ethoxyphenoxy)ethyl]furan-2-carboxylate (CID 79086049) is methyl 5-[1-(3-ethoxyphenoxy)ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-(3-ethoxyphenoxy)ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-(3-ethoxyphenoxy)ethyl]furan-2-carboxylate is CCOc1cccc(OC(C)c2ccc(C(=O)OC)o2)c1.
What is the InChIKey of methyl 5-[1-(3-ethoxyphenoxy)ethyl]furan-2-carboxylate?
The InChIKey is ULIAPOHTNMARRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5/c1-4-19-12-6-5-7-13(10-12)20-11(2)14-8-9-15(21-14)16(17)18-3/h5-11H,4H2,1-3H3.
What are the key properties of methyl 5-[1-(3-ethoxyphenoxy)ethyl]furan-2-carboxylate?
methyl 5-[1-(3-ethoxyphenoxy)ethyl]furan-2-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(3-ethoxyphenoxy)ethyl]furan-2-carboxylate is sourced from PubChem (CID 79086049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).