ethyl 2-hydroxy-8-phenylmethoxyindolizine-1-carboxylate

C18H17NO4 — CID 10686462

IUPACethyl 2-hydroxy-8-phenylmethoxyindolizine-1-carboxylate
SMILESCCOC(=O)c1c(O)cn2cccc(OCc3ccccc3)c12
InChIInChI=1S/C18H17NO4/c1-2-22-18(21)16-14(20)11-19-10-6-9-15(17(16)19)23-12-13-7-4-3-5-8-13/h3-11,20H,2,12H2,1H3
InChIKeyRIAFWZMHWOYXBG-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.40
Rot. Bonds5

About ethyl 2-hydroxy-8-phenylmethoxyindolizine-1-carboxylate

ethyl 2-hydroxy-8-phenylmethoxyindolizine-1-carboxylate (PubChem CID 10686462) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is ethyl 2-hydroxy-8-phenylmethoxyindolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-8-phenylmethoxyindolizine-1-carboxylate
PubChem CID10686462
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Nameethyl 2-hydroxy-8-phenylmethoxyindolizine-1-carboxylate
SMILESCCOC(=O)c1c(O)cn2cccc(OCc3ccccc3)c12
InChIInChI=1S/C18H17NO4/c1-2-22-18(21)16-14(20)11-19-10-6-9-15(17(16)19)23-12-13-7-4-3-5-8-13/h3-11,20H,2,12H2,1H3
InChIKeyRIAFWZMHWOYXBG-UHFFFAOYSA-N
XLogP3.40
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-8-phenylmethoxyindolizine-1-carboxylate?
The IUPAC name of ethyl 2-hydroxy-8-phenylmethoxyindolizine-1-carboxylate (CID 10686462) is ethyl 2-hydroxy-8-phenylmethoxyindolizine-1-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-8-phenylmethoxyindolizine-1-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-8-phenylmethoxyindolizine-1-carboxylate is CCOC(=O)c1c(O)cn2cccc(OCc3ccccc3)c12.
What is the InChIKey of ethyl 2-hydroxy-8-phenylmethoxyindolizine-1-carboxylate?
The InChIKey is RIAFWZMHWOYXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-2-22-18(21)16-14(20)11-19-10-6-9-15(17(16)19)23-12-13-7-4-3-5-8-13/h3-11,20H,2,12H2,1H3.
What are the key properties of ethyl 2-hydroxy-8-phenylmethoxyindolizine-1-carboxylate?
ethyl 2-hydroxy-8-phenylmethoxyindolizine-1-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-8-phenylmethoxyindolizine-1-carboxylate is sourced from PubChem (CID 10686462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).