methyl 1-[2-(2-methoxyphenoxy)ethyl]indole-3-carboxylate

C19H19NO4 — CID 952043

IUPACmethyl 1-[2-(2-methoxyphenoxy)ethyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CCOc2ccccc2OC)c2ccccc12
InChIInChI=1S/C19H19NO4/c1-22-17-9-5-6-10-18(17)24-12-11-20-13-15(19(21)23-2)14-7-3-4-8-16(14)20/h3-10,13H,11-12H2,1-2H3
InChIKeyNIBOQZCDCNIISB-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.52
Rot. Bonds6

About methyl 1-[2-(2-methoxyphenoxy)ethyl]indole-3-carboxylate

methyl 1-[2-(2-methoxyphenoxy)ethyl]indole-3-carboxylate (PubChem CID 952043) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is methyl 1-[2-(2-methoxyphenoxy)ethyl]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-methoxyphenoxy)ethyl]indole-3-carboxylate
PubChem CID952043
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Namemethyl 1-[2-(2-methoxyphenoxy)ethyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CCOc2ccccc2OC)c2ccccc12
InChIInChI=1S/C19H19NO4/c1-22-17-9-5-6-10-18(17)24-12-11-20-13-15(19(21)23-2)14-7-3-4-8-16(14)20/h3-10,13H,11-12H2,1-2H3
InChIKeyNIBOQZCDCNIISB-UHFFFAOYSA-N
XLogP3.52
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-methoxyphenoxy)ethyl]indole-3-carboxylate?
The IUPAC name of methyl 1-[2-(2-methoxyphenoxy)ethyl]indole-3-carboxylate (CID 952043) is methyl 1-[2-(2-methoxyphenoxy)ethyl]indole-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-methoxyphenoxy)ethyl]indole-3-carboxylate?
The canonical SMILES for methyl 1-[2-(2-methoxyphenoxy)ethyl]indole-3-carboxylate is COC(=O)c1cn(CCOc2ccccc2OC)c2ccccc12.
What is the InChIKey of methyl 1-[2-(2-methoxyphenoxy)ethyl]indole-3-carboxylate?
The InChIKey is NIBOQZCDCNIISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-22-17-9-5-6-10-18(17)24-12-11-20-13-15(19(21)23-2)14-7-3-4-8-16(14)20/h3-10,13H,11-12H2,1-2H3.
What are the key properties of methyl 1-[2-(2-methoxyphenoxy)ethyl]indole-3-carboxylate?
methyl 1-[2-(2-methoxyphenoxy)ethyl]indole-3-carboxylate has a molecular weight of 325.36 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-methoxyphenoxy)ethyl]indole-3-carboxylate is sourced from PubChem (CID 952043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).