ethyl 7-(4-methoxyphenoxy)-1H-indole-2-carboxylate

C18H17NO4 — CID 19042831

IUPACethyl 7-(4-methoxyphenoxy)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cccc(Oc3ccc(OC)cc3)c2[nH]1
InChIInChI=1S/C18H17NO4/c1-3-22-18(20)15-11-12-5-4-6-16(17(12)19-15)23-14-9-7-13(21-2)8-10-14/h4-11,19H,3H2,1-2H3
InChIKeyQQTVNCGXCOCRKC-UHFFFAOYSA-N
MW311.34 g/mol
LogP4.15
Rot. Bonds5

About ethyl 7-(4-methoxyphenoxy)-1H-indole-2-carboxylate

ethyl 7-(4-methoxyphenoxy)-1H-indole-2-carboxylate (PubChem CID 19042831) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is ethyl 7-(4-methoxyphenoxy)-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-(4-methoxyphenoxy)-1H-indole-2-carboxylate
PubChem CID19042831
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Nameethyl 7-(4-methoxyphenoxy)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cccc(Oc3ccc(OC)cc3)c2[nH]1
InChIInChI=1S/C18H17NO4/c1-3-22-18(20)15-11-12-5-4-6-16(17(12)19-15)23-14-9-7-13(21-2)8-10-14/h4-11,19H,3H2,1-2H3
InChIKeyQQTVNCGXCOCRKC-UHFFFAOYSA-N
XLogP4.15
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 7-methyl-1H-indole-2-carboxylate
CID 1235155
ethyl 5-amino-7-methoxy-1H-indole-2-carboxylate
CID 15231750
ethyl 7-[2-(trifluoromethoxy)phenyl]-1H-indole-2-carboxylate
CID 171663080
ethyl 7-(4-fluorophenyl)-1H-indole-2-carboxylate
CID 142425833
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate
CID 22509332
acetyl chloride;ethyl 7-acetyl-1H-indole-2-carboxylate
CID 161410841
ethyl 7-fluoro-5-methoxy-1H-indole-2-carboxylate
CID 168946890
ethyl 7-prop-2-enyl-1H-indole-2-carboxylate
CID 10398931
ethyl 5-cyano-7-methoxy-1H-indole-2-carboxylate
CID 165348341
ethyl 7-(4-chlorophenyl)-1H-indole-2-carboxylate
CID 171663092
ethyl 5-(4-fluorophenoxy)-1H-indole-2-carboxylate
CID 172554681

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(4-methoxyphenoxy)-1H-indole-2-carboxylate?
The IUPAC name of ethyl 7-(4-methoxyphenoxy)-1H-indole-2-carboxylate (CID 19042831) is ethyl 7-(4-methoxyphenoxy)-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 7-(4-methoxyphenoxy)-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 7-(4-methoxyphenoxy)-1H-indole-2-carboxylate is CCOC(=O)c1cc2cccc(Oc3ccc(OC)cc3)c2[nH]1.
What is the InChIKey of ethyl 7-(4-methoxyphenoxy)-1H-indole-2-carboxylate?
The InChIKey is QQTVNCGXCOCRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-3-22-18(20)15-11-12-5-4-6-16(17(12)19-15)23-14-9-7-13(21-2)8-10-14/h4-11,19H,3H2,1-2H3.
What are the key properties of ethyl 7-(4-methoxyphenoxy)-1H-indole-2-carboxylate?
ethyl 7-(4-methoxyphenoxy)-1H-indole-2-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(4-methoxyphenoxy)-1H-indole-2-carboxylate is sourced from PubChem (CID 19042831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).