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

C18H18O6 — CID 101470286

IUPACdiethyl 5-formyl-4-(3-methylphenyl)furan-2,3-dicarboxylate
SMILESCCOC(=O)c1oc(C=O)c(-c2cccc(C)c2)c1C(=O)OCC
InChIInChI=1S/C18H18O6/c1-4-22-17(20)15-14(12-8-6-7-11(3)9-12)13(10-19)24-16(15)18(21)23-5-2/h6-10H,4-5H2,1-3H3
InChIKeyWTFGCTAULPFCBG-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.42
Rot. Bonds6

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

diethyl 5-formyl-4-(3-methylphenyl)furan-2,3-dicarboxylate (PubChem CID 101470286) has the molecular formula C18H18O6 and a molecular weight of 330.34 g/mol. Its IUPAC name is diethyl 5-formyl-4-(3-methylphenyl)furan-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-formyl-4-(3-methylphenyl)furan-2,3-dicarboxylate
PubChem CID101470286
Molecular FormulaC18H18O6
Molecular Weight330.34 g/mol
Exact Mass330.11
IUPAC Namediethyl 5-formyl-4-(3-methylphenyl)furan-2,3-dicarboxylate
SMILESCCOC(=O)c1oc(C=O)c(-c2cccc(C)c2)c1C(=O)OCC
InChIInChI=1S/C18H18O6/c1-4-22-17(20)15-14(12-8-6-7-11(3)9-12)13(10-19)24-16(15)18(21)23-5-2/h6-10H,4-5H2,1-3H3
InChIKeyWTFGCTAULPFCBG-UHFFFAOYSA-N
XLogP3.42
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

diethyl 5-formyl-4-(2-methoxyphenyl)furan-2,3-dicarboxylate
CID 101470287
ethyl 5-methyl-2-(3-methylphenyl)-4-phenyl-1H-pyrrole-3-carboxylate
CID 102491425
ethyl 2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
CID 114372587
ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate
CID 3713155
ethyl 2-(3-methylphenyl)-4,6-diphenylpyridine-3-carboxylate
CID 167433740
diethyl 2-methyl-5-[(3-methylbenzoyl)amino]furan-3,4-dicarboxylate
CID 108739398
diethyl 3-(4-hydroxyphenyl)-5-methylfuran-2,4-dicarboxylate
CID 102318443
ethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate
CID 116532844
ethyl 5-[2-(3-methylphenoxy)ethoxy]-2-phenyl-1-benzofuran-3-carboxylate
CID 2432828
ethyl 2-ethyl-4-oxo-6-phenylchromene-3-carboxylate
CID 134868020
ethyl 2,6-dimethylbenzoate
CID 520807
diethyl 3-(3-fluorophenyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate
CID 164523379

Frequently Asked Questions

What is the IUPAC name of diethyl 5-formyl-4-(3-methylphenyl)furan-2,3-dicarboxylate?
The IUPAC name of diethyl 5-formyl-4-(3-methylphenyl)furan-2,3-dicarboxylate (CID 101470286) is diethyl 5-formyl-4-(3-methylphenyl)furan-2,3-dicarboxylate.
What is the SMILES notation for diethyl 5-formyl-4-(3-methylphenyl)furan-2,3-dicarboxylate?
The canonical SMILES for diethyl 5-formyl-4-(3-methylphenyl)furan-2,3-dicarboxylate is CCOC(=O)c1oc(C=O)c(-c2cccc(C)c2)c1C(=O)OCC.
What is the InChIKey of diethyl 5-formyl-4-(3-methylphenyl)furan-2,3-dicarboxylate?
The InChIKey is WTFGCTAULPFCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O6/c1-4-22-17(20)15-14(12-8-6-7-11(3)9-12)13(10-19)24-16(15)18(21)23-5-2/h6-10H,4-5H2,1-3H3.
What are the key properties of diethyl 5-formyl-4-(3-methylphenyl)furan-2,3-dicarboxylate?
diethyl 5-formyl-4-(3-methylphenyl)furan-2,3-dicarboxylate has a molecular weight of 330.34 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-formyl-4-(3-methylphenyl)furan-2,3-dicarboxylate is sourced from PubChem (CID 101470286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).