ethyl 2-methoxy-4,5-diphenylfuran-3-carboxylate

C20H18O4 — CID 11056368

IUPACethyl 2-methoxy-4,5-diphenylfuran-3-carboxylate
SMILESCCOC(=O)c1c(OC)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H18O4/c1-3-23-19(21)17-16(14-10-6-4-7-11-14)18(24-20(17)22-2)15-12-8-5-9-13-15/h4-13H,3H2,1-2H3
InChIKeyVTCXIJGSAWXNAZ-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.80
Rot. Bonds5

About ethyl 2-methoxy-4,5-diphenylfuran-3-carboxylate

ethyl 2-methoxy-4,5-diphenylfuran-3-carboxylate (PubChem CID 11056368) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 2-methoxy-4,5-diphenylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methoxy-4,5-diphenylfuran-3-carboxylate
PubChem CID11056368
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Nameethyl 2-methoxy-4,5-diphenylfuran-3-carboxylate
SMILESCCOC(=O)c1c(OC)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H18O4/c1-3-23-19(21)17-16(14-10-6-4-7-11-14)18(24-20(17)22-2)15-12-8-5-9-13-15/h4-13H,3H2,1-2H3
InChIKeyVTCXIJGSAWXNAZ-UHFFFAOYSA-N
XLogP4.80
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-benzamido-4,5-diphenylfuran-3-carboxylate
CID 126122147
ethyl 4-hydroxy-5-methyl-2-phenylfuran-3-carboxylate
CID 117059608
ethyl 4,9-dioxo-2-phenylbenzo[f][1]benzofuran-3-carboxylate
CID 822829
butyl 2-amino-4,5-diphenylfuran-3-carboxylate
CID 4738026
diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate
CID 66570713
ethyl 2-ethyl-5-methyl-6-oxo-4-phenylpyran-3-carboxylate
CID 101231625
dipropyl 2,5-diphenylfuran-3,4-dicarboxylate
CID 141186958
ethyl 4-amino-5,6-diphenylfuro[2,3-d]pyrimidine-2-carboxylate
CID 14639123
methyl 2-methyl-4-oxo-5,6-diphenylpyran-3-carboxylate
CID 164684371
diethyl 5-[3,5-bis(ethoxycarbonyl)-4-phenyl-1H-pyrrol-2-yl]-3-phenyl-1H-pyrrole-2,4-dicarboxylate
CID 11731481
ethyl 5-(4-methylphenyl)-2-phenylfuran-3-carboxylate
CID 100921734
ethyl 2-aminoazulene-1-carboxylate
CID 11458568

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-4,5-diphenylfuran-3-carboxylate?
The IUPAC name of ethyl 2-methoxy-4,5-diphenylfuran-3-carboxylate (CID 11056368) is ethyl 2-methoxy-4,5-diphenylfuran-3-carboxylate.
What is the SMILES notation for ethyl 2-methoxy-4,5-diphenylfuran-3-carboxylate?
The canonical SMILES for ethyl 2-methoxy-4,5-diphenylfuran-3-carboxylate is CCOC(=O)c1c(OC)oc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of ethyl 2-methoxy-4,5-diphenylfuran-3-carboxylate?
The InChIKey is VTCXIJGSAWXNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-3-23-19(21)17-16(14-10-6-4-7-11-14)18(24-20(17)22-2)15-12-8-5-9-13-15/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 2-methoxy-4,5-diphenylfuran-3-carboxylate?
ethyl 2-methoxy-4,5-diphenylfuran-3-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-4,5-diphenylfuran-3-carboxylate is sourced from PubChem (CID 11056368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).