ethyl 3-[[2,2-bis(4-chlorophenyl)-4-ethoxycarbonyl-5-methyl-3H-furan-3-yl]methyl]-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxylate

C41H36Cl4O6 — CID 14912358

IUPACethyl 3-[[2,2-bis(4-chlorophenyl)-4-ethoxycarbonyl-5-methyl-3H-furan-3-yl]methyl]-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxylate
SMILESCCOC(=O)C1=C(C)OC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)C1CC1C(C(=O)OCC)=C(C)OC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C41H36Cl4O6/c1-5-48-38(46)36-24(3)50-40(26-7-15-30(42)16-8-26,27-9-17-31(43)18-10-27)34(36)23-35-37(39(47)49-6-2)25(4)51-41(35,28-11-19-32(44)20-12-28)29-13-21-33(45)22-14-29/h7-22,34-35H,5-6,23H2,1-4H3
InChIKeyVBTAARBXTSPTRH-UHFFFAOYSA-N
MW766.55 g/mol
LogP10.84
Rot. Bonds10

About ethyl 3-[[2,2-bis(4-chlorophenyl)-4-ethoxycarbonyl-5-methyl-3H-furan-3-yl]methyl]-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxylate

ethyl 3-[[2,2-bis(4-chlorophenyl)-4-ethoxycarbonyl-5-methyl-3H-furan-3-yl]methyl]-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxylate (PubChem CID 14912358) has the molecular formula C41H36Cl4O6 and a molecular weight of 766.55 g/mol. Its IUPAC name is ethyl 3-[[2,2-bis(4-chlorophenyl)-4-ethoxycarbonyl-5-methyl-3H-furan-3-yl]methyl]-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[2,2-bis(4-chlorophenyl)-4-ethoxycarbonyl-5-methyl-3H-furan-3-yl]methyl]-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxylate
PubChem CID14912358
Molecular FormulaC41H36Cl4O6
Molecular Weight766.55 g/mol
Exact Mass764.13
IUPAC Nameethyl 3-[[2,2-bis(4-chlorophenyl)-4-ethoxycarbonyl-5-methyl-3H-furan-3-yl]methyl]-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxylate
SMILESCCOC(=O)C1=C(C)OC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)C1CC1C(C(=O)OCC)=C(C)OC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C41H36Cl4O6/c1-5-48-38(46)36-24(3)50-40(26-7-15-30(42)16-8-26,27-9-17-31(43)18-10-27)34(36)23-35-37(39(47)49-6-2)25(4)51-41(35,28-11-19-32(44)20-12-28)29-13-21-33(45)22-14-29/h7-22,34-35H,5-6,23H2,1-4H3
InChIKeyVBTAARBXTSPTRH-UHFFFAOYSA-N
XLogP10.84
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.55
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[[2,2-bis(4-chlorophenyl)-4-ethoxycarbonyl-5-methyl-3H-furan-3-yl]methyl]-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxylate with MolForge

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Related Compounds

ethyl 3-ethyl-2,2,5-trimethyl-3H-furan-4-carboxylate
CID 10774906
ethyl 2-[3-(4-chlorophenyl)oxetan-3-yl]acetate
CID 46204178
diethyl 2-(bromomethyl)-2-(4-chlorophenyl)-5-oxofuran-3,4-dicarboxylate
CID 53309952
ethyl (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 678065
ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
ethyl 2-chloro-3,6-difluorobenzoate
CID 46311291
ethyl 4-[(4-chlorophenyl)methyl]benzoate
CID 11414671
ethyl (3aS,6aS)-2,6a-dimethyl-5-oxo-3a,4-dihydrofuro[2,3-b]furan-3-carboxylate
CID 15175283
ethyl (4S)-6-[(4-chlorophenyl)sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7892363
tetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate
CID 154144676
ethyl 1-[2-(4-chlorophenyl)oxiran-2-yl]cyclopropane-1-carboxylate
CID 14556276
diethyl 4-(3-chlorophenyl)-2,6-dimethyl-4H-pyran-3,5-dicarboxylate
CID 71739309

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2,2-bis(4-chlorophenyl)-4-ethoxycarbonyl-5-methyl-3H-furan-3-yl]methyl]-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxylate?
The IUPAC name of ethyl 3-[[2,2-bis(4-chlorophenyl)-4-ethoxycarbonyl-5-methyl-3H-furan-3-yl]methyl]-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxylate (CID 14912358) is ethyl 3-[[2,2-bis(4-chlorophenyl)-4-ethoxycarbonyl-5-methyl-3H-furan-3-yl]methyl]-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxylate.
What is the SMILES notation for ethyl 3-[[2,2-bis(4-chlorophenyl)-4-ethoxycarbonyl-5-methyl-3H-furan-3-yl]methyl]-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxylate?
The canonical SMILES for ethyl 3-[[2,2-bis(4-chlorophenyl)-4-ethoxycarbonyl-5-methyl-3H-furan-3-yl]methyl]-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxylate is CCOC(=O)C1=C(C)OC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)C1CC1C(C(=O)OCC)=C(C)OC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 3-[[2,2-bis(4-chlorophenyl)-4-ethoxycarbonyl-5-methyl-3H-furan-3-yl]methyl]-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxylate?
The InChIKey is VBTAARBXTSPTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36Cl4O6/c1-5-48-38(46)36-24(3)50-40(26-7-15-30(42)16-8-26,27-9-17-31(43)18-10-27)34(36)23-35-37(39(47)49-6-2)25(4)51-41(35,28-11-19-32(44)20-12-28)29-13-21-33(45)22-14-29/h7-22,34-35H,5-6,23H2,1-4H3.
What are the key properties of ethyl 3-[[2,2-bis(4-chlorophenyl)-4-ethoxycarbonyl-5-methyl-3H-furan-3-yl]methyl]-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxylate?
ethyl 3-[[2,2-bis(4-chlorophenyl)-4-ethoxycarbonyl-5-methyl-3H-furan-3-yl]methyl]-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxylate has a molecular weight of 766.55 g/mol, XLogP of 10.84, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2,2-bis(4-chlorophenyl)-4-ethoxycarbonyl-5-methyl-3H-furan-3-yl]methyl]-2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-carboxylate is sourced from PubChem (CID 14912358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).