diethyl 5-formyl-4-(2-methoxyphenyl)furan-2,3-dicarboxylate

C18H18O7 — CID 101470287

IUPACdiethyl 5-formyl-4-(2-methoxyphenyl)furan-2,3-dicarboxylate
SMILESCCOC(=O)c1oc(C=O)c(-c2ccccc2OC)c1C(=O)OCC
InChIInChI=1S/C18H18O7/c1-4-23-17(20)15-14(11-8-6-7-9-12(11)22-3)13(10-19)25-16(15)18(21)24-5-2/h6-10H,4-5H2,1-3H3
InChIKeyGLGCTOXLGMUHJM-UHFFFAOYSA-N
MW346.34 g/mol
LogP3.12
Rot. Bonds7

About diethyl 5-formyl-4-(2-methoxyphenyl)furan-2,3-dicarboxylate

diethyl 5-formyl-4-(2-methoxyphenyl)furan-2,3-dicarboxylate (PubChem CID 101470287) has the molecular formula C18H18O7 and a molecular weight of 346.34 g/mol. Its IUPAC name is diethyl 5-formyl-4-(2-methoxyphenyl)furan-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-formyl-4-(2-methoxyphenyl)furan-2,3-dicarboxylate
PubChem CID101470287
Molecular FormulaC18H18O7
Molecular Weight346.34 g/mol
Exact Mass346.11
IUPAC Namediethyl 5-formyl-4-(2-methoxyphenyl)furan-2,3-dicarboxylate
SMILESCCOC(=O)c1oc(C=O)c(-c2ccccc2OC)c1C(=O)OCC
InChIInChI=1S/C18H18O7/c1-4-23-17(20)15-14(11-8-6-7-9-12(11)22-3)13(10-19)25-16(15)18(21)24-5-2/h6-10H,4-5H2,1-3H3
InChIKeyGLGCTOXLGMUHJM-UHFFFAOYSA-N
XLogP3.12
TPSA92.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze diethyl 5-formyl-4-(2-methoxyphenyl)furan-2,3-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 5-formyl-4-(3-methylphenyl)furan-2,3-dicarboxylate
CID 101470286
ethyl 4-ethyl-2-(2-methoxyphenyl)-1,3-oxazole-5-carboxylate
CID 104842680
ethyl 2-amino-5-(2-methoxyphenyl)-4-methylthiophene-3-carboxylate
CID 10565518
ethyl 5-(2-methoxyphenyl)-1,2-oxazole-4-carboxylate
CID 22831688
ethyl 6-methoxy-2-(2-methoxyphenyl)-1-benzofuran-3-carboxylate
CID 90272615
ethyl 7-(furan-2-carbonyloxy)-3-(2-methoxyphenyl)-4-oxochromene-2-carboxylate
CID 1303888
triethyl 5-(2-phenylethyl)furan-2,3,4-tricarboxylate
CID 15812358
4-O-ethyl 2-O-(2-methoxyphenyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 51149667
ethyl 2-(2-methoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate
CID 13288104
ethyl 3-(2-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 57356240
ethyl 2-methoxy-4,5-diphenylfuran-3-carboxylate
CID 11056368
ethyl 4-formyl-2-methoxy-6-methylbenzoate
CID 171024646

Frequently Asked Questions

What is the IUPAC name of diethyl 5-formyl-4-(2-methoxyphenyl)furan-2,3-dicarboxylate?
The IUPAC name of diethyl 5-formyl-4-(2-methoxyphenyl)furan-2,3-dicarboxylate (CID 101470287) is diethyl 5-formyl-4-(2-methoxyphenyl)furan-2,3-dicarboxylate.
What is the SMILES notation for diethyl 5-formyl-4-(2-methoxyphenyl)furan-2,3-dicarboxylate?
The canonical SMILES for diethyl 5-formyl-4-(2-methoxyphenyl)furan-2,3-dicarboxylate is CCOC(=O)c1oc(C=O)c(-c2ccccc2OC)c1C(=O)OCC.
What is the InChIKey of diethyl 5-formyl-4-(2-methoxyphenyl)furan-2,3-dicarboxylate?
The InChIKey is GLGCTOXLGMUHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O7/c1-4-23-17(20)15-14(11-8-6-7-9-12(11)22-3)13(10-19)25-16(15)18(21)24-5-2/h6-10H,4-5H2,1-3H3.
What are the key properties of diethyl 5-formyl-4-(2-methoxyphenyl)furan-2,3-dicarboxylate?
diethyl 5-formyl-4-(2-methoxyphenyl)furan-2,3-dicarboxylate has a molecular weight of 346.34 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-formyl-4-(2-methoxyphenyl)furan-2,3-dicarboxylate is sourced from PubChem (CID 101470287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).