ethyl 5-(3,4,5-trimethoxyphenyl)furan-3-carboxylate

C16H18O6 — CID 57338897

IUPACethyl 5-(3,4,5-trimethoxyphenyl)furan-3-carboxylate
SMILESCCOC(=O)c1coc(-c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C16H18O6/c1-5-21-16(17)11-8-12(22-9-11)10-6-13(18-2)15(20-4)14(7-10)19-3/h6-9H,5H2,1-4H3
InChIKeyVXNOVDJGWDFCHG-UHFFFAOYSA-N
MW306.31 g/mol
LogP3.15
Rot. Bonds6

About ethyl 5-(3,4,5-trimethoxyphenyl)furan-3-carboxylate

ethyl 5-(3,4,5-trimethoxyphenyl)furan-3-carboxylate (PubChem CID 57338897) has the molecular formula C16H18O6 and a molecular weight of 306.31 g/mol. Its IUPAC name is ethyl 5-(3,4,5-trimethoxyphenyl)furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3,4,5-trimethoxyphenyl)furan-3-carboxylate
PubChem CID57338897
Molecular FormulaC16H18O6
Molecular Weight306.31 g/mol
Exact Mass306.11
IUPAC Nameethyl 5-(3,4,5-trimethoxyphenyl)furan-3-carboxylate
SMILESCCOC(=O)c1coc(-c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C16H18O6/c1-5-21-16(17)11-8-12(22-9-11)10-6-13(18-2)15(20-4)14(7-10)19-3/h6-9H,5H2,1-4H3
InChIKeyVXNOVDJGWDFCHG-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(3,4,5-trimethoxyphenyl)pyridine-3-carboxylate
CID 22557861
ethyl 5-aminofuran-3-carboxylate
CID 22218303
(4-ethoxycarbonyl-2-methoxyphenyl) 3,4,5-trimethoxybenzoate
CID 7311951
ethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)benzoate
CID 51042654
ethyl 3,4,5-trimethoxybenzoate;1-iodo-2,3,4,5-tetramethylbenzene
CID 123134211
ethyl 3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxylate
CID 63357988
ethyl 3-chlorosulfonyl-4,5-dimethoxybenzoate
CID 43436808
iodomethyl 3,4,5-trimethoxybenzoate
CID 19866330
ethyl 4-(5-formyl-2,3-dimethoxyphenyl)benzoate
CID 134840872
ethyl (2S)-2-(3,4,5-trimethoxyphenyl)propanoate
CID 95479616
diethyl 2-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]furan-3,4-dicarboxylate
CID 108762104
cyanomethyl 3,4,5-trimethoxybenzoate
CID 2681800

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3,4,5-trimethoxyphenyl)furan-3-carboxylate?
The IUPAC name of ethyl 5-(3,4,5-trimethoxyphenyl)furan-3-carboxylate (CID 57338897) is ethyl 5-(3,4,5-trimethoxyphenyl)furan-3-carboxylate.
What is the SMILES notation for ethyl 5-(3,4,5-trimethoxyphenyl)furan-3-carboxylate?
The canonical SMILES for ethyl 5-(3,4,5-trimethoxyphenyl)furan-3-carboxylate is CCOC(=O)c1coc(-c2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of ethyl 5-(3,4,5-trimethoxyphenyl)furan-3-carboxylate?
The InChIKey is VXNOVDJGWDFCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O6/c1-5-21-16(17)11-8-12(22-9-11)10-6-13(18-2)15(20-4)14(7-10)19-3/h6-9H,5H2,1-4H3.
What are the key properties of ethyl 5-(3,4,5-trimethoxyphenyl)furan-3-carboxylate?
ethyl 5-(3,4,5-trimethoxyphenyl)furan-3-carboxylate has a molecular weight of 306.31 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3,4,5-trimethoxyphenyl)furan-3-carboxylate is sourced from PubChem (CID 57338897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).