ethyl 2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)furan-3-carboxylate

C23H21NO3 — CID 10406161

IUPACethyl 2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)furan-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(C)c1-c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C23H21NO3/c1-4-26-23(25)20-15(3)27-14(2)19(20)21-17-12-8-9-13-18(17)24-22(21)16-10-6-5-7-11-16/h5-13,24H,4H2,1-3H3
InChIKeyGORGTMOKCVLYJA-UHFFFAOYSA-N
MW359.43 g/mol
LogP5.89
Rot. Bonds4

About ethyl 2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)furan-3-carboxylate

ethyl 2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)furan-3-carboxylate (PubChem CID 10406161) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is ethyl 2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)furan-3-carboxylate
PubChem CID10406161
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Nameethyl 2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)furan-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(C)c1-c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C23H21NO3/c1-4-26-23(25)20-15(3)27-14(2)19(20)21-17-12-8-9-13-18(17)24-22(21)16-10-6-5-7-11-16/h5-13,24H,4H2,1-3H3
InChIKeyGORGTMOKCVLYJA-UHFFFAOYSA-N
XLogP5.89
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-(2-phenyl-1H-indol-3-yl)phenyl]benzoate
CID 11441462
ethyl 4-(4-hydroxy-2-oxochromen-3-yl)-2,5-diphenyl-1H-pyrrole-3-carboxylate
CID 146163882
ethyl 4-methyl-2-phenyl-1H-indole-3-carboxylate
CID 138982192
ethyl (E)-3-(2-phenyl-1H-indol-3-yl)but-2-enoate
CID 135019342
ethyl 2-amino-1H-indole-3-carboxylate
CID 1476606
ethyl 4-acetyl-5-methyl-2-phenyl-1H-pyrrole-3-carboxylate
CID 86237031
diethyl 5-[3,5-bis(ethoxycarbonyl)-4-phenyl-1H-pyrrol-2-yl]-3-phenyl-1H-pyrrole-2,4-dicarboxylate
CID 11731481
ethyl 4-benzoyl-3,5-diphenyl-1H-pyrrole-2-carboxylate
CID 146163429
ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate
CID 3022167
1-O-ethyl 4-O-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] (E)-but-2-enedioate
CID 7851494
ethyl 4-acetyloxy-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
CID 14569474
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methyl-1H-indole-3-carboxylate
CID 99813436

Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)furan-3-carboxylate?
The IUPAC name of ethyl 2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)furan-3-carboxylate (CID 10406161) is ethyl 2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)furan-3-carboxylate.
What is the SMILES notation for ethyl 2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)furan-3-carboxylate?
The canonical SMILES for ethyl 2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)furan-3-carboxylate is CCOC(=O)c1c(C)oc(C)c1-c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of ethyl 2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)furan-3-carboxylate?
The InChIKey is GORGTMOKCVLYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-4-26-23(25)20-15(3)27-14(2)19(20)21-17-12-8-9-13-18(17)24-22(21)16-10-6-5-7-11-16/h5-13,24H,4H2,1-3H3.
What are the key properties of ethyl 2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)furan-3-carboxylate?
ethyl 2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)furan-3-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)furan-3-carboxylate is sourced from PubChem (CID 10406161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).