ethyl 1-(furan-2-ylmethyl)-5-methoxy-2-methylindole-3-carboxylate

C18H19NO4 — CID 804969

IUPACethyl 1-(furan-2-ylmethyl)-5-methoxy-2-methylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(Cc2ccco2)c2ccc(OC)cc12
InChIInChI=1S/C18H19NO4/c1-4-22-18(20)17-12(2)19(11-14-6-5-9-23-14)16-8-7-13(21-3)10-15(16)17/h5-10H,4,11H2,1-3H3
InChIKeyOQQQBVMMAFNRHE-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.78
Rot. Bonds5

About ethyl 1-(furan-2-ylmethyl)-5-methoxy-2-methylindole-3-carboxylate

ethyl 1-(furan-2-ylmethyl)-5-methoxy-2-methylindole-3-carboxylate (PubChem CID 804969) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is ethyl 1-(furan-2-ylmethyl)-5-methoxy-2-methylindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(furan-2-ylmethyl)-5-methoxy-2-methylindole-3-carboxylate
PubChem CID804969
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Nameethyl 1-(furan-2-ylmethyl)-5-methoxy-2-methylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(Cc2ccco2)c2ccc(OC)cc12
InChIInChI=1S/C18H19NO4/c1-4-22-18(20)17-12(2)19(11-14-6-5-9-23-14)16-8-7-13(21-3)10-15(16)17/h5-10H,4,11H2,1-3H3
InChIKeyOQQQBVMMAFNRHE-UHFFFAOYSA-N
XLogP3.78
TPSA53.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(furan-2-ylmethyl)-5-methoxy-2-methylindole-3-carboxylate?
The IUPAC name of ethyl 1-(furan-2-ylmethyl)-5-methoxy-2-methylindole-3-carboxylate (CID 804969) is ethyl 1-(furan-2-ylmethyl)-5-methoxy-2-methylindole-3-carboxylate.
What is the SMILES notation for ethyl 1-(furan-2-ylmethyl)-5-methoxy-2-methylindole-3-carboxylate?
The canonical SMILES for ethyl 1-(furan-2-ylmethyl)-5-methoxy-2-methylindole-3-carboxylate is CCOC(=O)c1c(C)n(Cc2ccco2)c2ccc(OC)cc12.
What is the InChIKey of ethyl 1-(furan-2-ylmethyl)-5-methoxy-2-methylindole-3-carboxylate?
The InChIKey is OQQQBVMMAFNRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-4-22-18(20)17-12(2)19(11-14-6-5-9-23-14)16-8-7-13(21-3)10-15(16)17/h5-10H,4,11H2,1-3H3.
What are the key properties of ethyl 1-(furan-2-ylmethyl)-5-methoxy-2-methylindole-3-carboxylate?
ethyl 1-(furan-2-ylmethyl)-5-methoxy-2-methylindole-3-carboxylate has a molecular weight of 313.35 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(furan-2-ylmethyl)-5-methoxy-2-methylindole-3-carboxylate is sourced from PubChem (CID 804969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).