ethyl 5-(furan-2-carbonyloxy)-2-methyl-1-phenylindole-3-carboxylate

C23H19NO5 — CID 3591990

IUPACethyl 5-(furan-2-carbonyloxy)-2-methyl-1-phenylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(=O)c3ccco3)cc12
InChIInChI=1S/C23H19NO5/c1-3-27-23(26)21-15(2)24(16-8-5-4-6-9-16)19-12-11-17(14-18(19)21)29-22(25)20-10-7-13-28-20/h4-14H,3H2,1-2H3
InChIKeyBGQYAFNIJRZKAI-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.93
Rot. Bonds5

About ethyl 5-(furan-2-carbonyloxy)-2-methyl-1-phenylindole-3-carboxylate

ethyl 5-(furan-2-carbonyloxy)-2-methyl-1-phenylindole-3-carboxylate (PubChem CID 3591990) has the molecular formula C23H19NO5 and a molecular weight of 389.41 g/mol. Its IUPAC name is ethyl 5-(furan-2-carbonyloxy)-2-methyl-1-phenylindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(furan-2-carbonyloxy)-2-methyl-1-phenylindole-3-carboxylate
PubChem CID3591990
Molecular FormulaC23H19NO5
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Nameethyl 5-(furan-2-carbonyloxy)-2-methyl-1-phenylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(=O)c3ccco3)cc12
InChIInChI=1S/C23H19NO5/c1-3-27-23(26)21-15(2)24(16-8-5-4-6-9-16)19-12-11-17(14-18(19)21)29-22(25)20-10-7-13-28-20/h4-14H,3H2,1-2H3
InChIKeyBGQYAFNIJRZKAI-UHFFFAOYSA-N
XLogP4.93
TPSA70.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(furan-2-carbonyloxy)-2-methyl-1-phenylindole-3-carboxylate?
The IUPAC name of ethyl 5-(furan-2-carbonyloxy)-2-methyl-1-phenylindole-3-carboxylate (CID 3591990) is ethyl 5-(furan-2-carbonyloxy)-2-methyl-1-phenylindole-3-carboxylate.
What is the SMILES notation for ethyl 5-(furan-2-carbonyloxy)-2-methyl-1-phenylindole-3-carboxylate?
The canonical SMILES for ethyl 5-(furan-2-carbonyloxy)-2-methyl-1-phenylindole-3-carboxylate is CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(=O)c3ccco3)cc12.
What is the InChIKey of ethyl 5-(furan-2-carbonyloxy)-2-methyl-1-phenylindole-3-carboxylate?
The InChIKey is BGQYAFNIJRZKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO5/c1-3-27-23(26)21-15(2)24(16-8-5-4-6-9-16)19-12-11-17(14-18(19)21)29-22(25)20-10-7-13-28-20/h4-14H,3H2,1-2H3.
What are the key properties of ethyl 5-(furan-2-carbonyloxy)-2-methyl-1-phenylindole-3-carboxylate?
ethyl 5-(furan-2-carbonyloxy)-2-methyl-1-phenylindole-3-carboxylate has a molecular weight of 389.41 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(furan-2-carbonyloxy)-2-methyl-1-phenylindole-3-carboxylate is sourced from PubChem (CID 3591990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).