methyl 1-(2-phenoxyethyl)indole-3-carboxylate

C18H17NO3 — CID 951764

IUPACmethyl 1-(2-phenoxyethyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(CCOc2ccccc2)c2ccccc12
InChIInChI=1S/C18H17NO3/c1-21-18(20)16-13-19(17-10-6-5-9-15(16)17)11-12-22-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3
InChIKeyXRLJHAXZJSSBGD-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.51
Rot. Bonds5

About methyl 1-(2-phenoxyethyl)indole-3-carboxylate

methyl 1-(2-phenoxyethyl)indole-3-carboxylate (PubChem CID 951764) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 1-(2-phenoxyethyl)indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-phenoxyethyl)indole-3-carboxylate
PubChem CID951764
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Namemethyl 1-(2-phenoxyethyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(CCOc2ccccc2)c2ccccc12
InChIInChI=1S/C18H17NO3/c1-21-18(20)16-13-19(17-10-6-5-9-15(16)17)11-12-22-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3
InChIKeyXRLJHAXZJSSBGD-UHFFFAOYSA-N
XLogP3.51
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-phenoxyethyl)indole-3-carboxylate?
The IUPAC name of methyl 1-(2-phenoxyethyl)indole-3-carboxylate (CID 951764) is methyl 1-(2-phenoxyethyl)indole-3-carboxylate.
What is the SMILES notation for methyl 1-(2-phenoxyethyl)indole-3-carboxylate?
The canonical SMILES for methyl 1-(2-phenoxyethyl)indole-3-carboxylate is COC(=O)c1cn(CCOc2ccccc2)c2ccccc12.
What is the InChIKey of methyl 1-(2-phenoxyethyl)indole-3-carboxylate?
The InChIKey is XRLJHAXZJSSBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-21-18(20)16-13-19(17-10-6-5-9-15(16)17)11-12-22-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3.
What are the key properties of methyl 1-(2-phenoxyethyl)indole-3-carboxylate?
methyl 1-(2-phenoxyethyl)indole-3-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-phenoxyethyl)indole-3-carboxylate is sourced from PubChem (CID 951764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).