ethyl 5-(3,4-dimethoxyphenyl)-2-ethoxyfuran-3-carboxylate

C17H20O6 — CID 14115361

IUPACethyl 5-(3,4-dimethoxyphenyl)-2-ethoxyfuran-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)oc1OCC
InChIInChI=1S/C17H20O6/c1-5-21-16(18)12-10-14(23-17(12)22-6-2)11-7-8-13(19-3)15(9-11)20-4/h7-10H,5-6H2,1-4H3
InChIKeyDUYGLGGYRJTJAX-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.54
Rot. Bonds7

About ethyl 5-(3,4-dimethoxyphenyl)-2-ethoxyfuran-3-carboxylate

ethyl 5-(3,4-dimethoxyphenyl)-2-ethoxyfuran-3-carboxylate (PubChem CID 14115361) has the molecular formula C17H20O6 and a molecular weight of 320.34 g/mol. Its IUPAC name is ethyl 5-(3,4-dimethoxyphenyl)-2-ethoxyfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3,4-dimethoxyphenyl)-2-ethoxyfuran-3-carboxylate
PubChem CID14115361
Molecular FormulaC17H20O6
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Nameethyl 5-(3,4-dimethoxyphenyl)-2-ethoxyfuran-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)oc1OCC
InChIInChI=1S/C17H20O6/c1-5-21-16(18)12-10-14(23-17(12)22-6-2)11-7-8-13(19-3)15(9-11)20-4/h7-10H,5-6H2,1-4H3
InChIKeyDUYGLGGYRJTJAX-UHFFFAOYSA-N
XLogP3.54
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylbenzoate
CID 14570140
ethyl 5-amino-2-methoxybenzoate
CID 22180184
diethyl 5-(4-nitrophenyl)furan-2,3-dicarboxylate
CID 164671795
ethyl 5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-3-carboxylate
CID 63379413
ethyl 5-amino-3-(3,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylate
CID 25219814
2,5-bis(4-ethoxy-3-methoxyphenyl)-3,4-dimethylfuran
CID 11069311
ethyl 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate
CID 6483989
ethyl 4-chloro-2-(4-fluoro-3-methoxyphenyl)pyrimidine-5-carboxylate
CID 59777590
ethyl 6-chloro-4-(3,4-dimethoxyphenyl)-2-oxochromene-3-carboxylate
CID 19105287
ethyl 7-(3,4-dimethoxybenzoyl)oxy-2-oxochromene-3-carboxylate
CID 19181559
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
diethyl 2-[(3,4-dimethoxybenzoyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762099

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3,4-dimethoxyphenyl)-2-ethoxyfuran-3-carboxylate?
The IUPAC name of ethyl 5-(3,4-dimethoxyphenyl)-2-ethoxyfuran-3-carboxylate (CID 14115361) is ethyl 5-(3,4-dimethoxyphenyl)-2-ethoxyfuran-3-carboxylate.
What is the SMILES notation for ethyl 5-(3,4-dimethoxyphenyl)-2-ethoxyfuran-3-carboxylate?
The canonical SMILES for ethyl 5-(3,4-dimethoxyphenyl)-2-ethoxyfuran-3-carboxylate is CCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)oc1OCC.
What is the InChIKey of ethyl 5-(3,4-dimethoxyphenyl)-2-ethoxyfuran-3-carboxylate?
The InChIKey is DUYGLGGYRJTJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O6/c1-5-21-16(18)12-10-14(23-17(12)22-6-2)11-7-8-13(19-3)15(9-11)20-4/h7-10H,5-6H2,1-4H3.
What are the key properties of ethyl 5-(3,4-dimethoxyphenyl)-2-ethoxyfuran-3-carboxylate?
ethyl 5-(3,4-dimethoxyphenyl)-2-ethoxyfuran-3-carboxylate has a molecular weight of 320.34 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3,4-dimethoxyphenyl)-2-ethoxyfuran-3-carboxylate is sourced from PubChem (CID 14115361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).