1-[1-[2-(hydroxymethyl)phenyl]-7-methoxyindolizin-3-yl]ethanone

C18H17NO3 — CID 127026588

IUPAC1-[1-[2-(hydroxymethyl)phenyl]-7-methoxyindolizin-3-yl]ethanone
SMILESCOc1ccn2c(C(C)=O)cc(-c3ccccc3CO)c2c1
InChIInChI=1S/C18H17NO3/c1-12(21)17-10-16(15-6-4-3-5-13(15)11-20)18-9-14(22-2)7-8-19(17)18/h3-10,20H,11H2,1-2H3
InChIKeyGMXMZKZEBRJELW-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.31
Rot. Bonds4

About 1-[1-[2-(hydroxymethyl)phenyl]-7-methoxyindolizin-3-yl]ethanone

1-[1-[2-(hydroxymethyl)phenyl]-7-methoxyindolizin-3-yl]ethanone (PubChem CID 127026588) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[1-[2-(hydroxymethyl)phenyl]-7-methoxyindolizin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-(hydroxymethyl)phenyl]-7-methoxyindolizin-3-yl]ethanone
PubChem CID127026588
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name1-[1-[2-(hydroxymethyl)phenyl]-7-methoxyindolizin-3-yl]ethanone
SMILESCOc1ccn2c(C(C)=O)cc(-c3ccccc3CO)c2c1
InChIInChI=1S/C18H17NO3/c1-12(21)17-10-16(15-6-4-3-5-13(15)11-20)18-9-14(22-2)7-8-19(17)18/h3-10,20H,11H2,1-2H3
InChIKeyGMXMZKZEBRJELW-UHFFFAOYSA-N
XLogP3.31
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(hydroxymethyl)phenyl]-7-methoxyindolizin-3-yl]ethanone?
The IUPAC name of 1-[1-[2-(hydroxymethyl)phenyl]-7-methoxyindolizin-3-yl]ethanone (CID 127026588) is 1-[1-[2-(hydroxymethyl)phenyl]-7-methoxyindolizin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[2-(hydroxymethyl)phenyl]-7-methoxyindolizin-3-yl]ethanone?
The canonical SMILES for 1-[1-[2-(hydroxymethyl)phenyl]-7-methoxyindolizin-3-yl]ethanone is COc1ccn2c(C(C)=O)cc(-c3ccccc3CO)c2c1.
What is the InChIKey of 1-[1-[2-(hydroxymethyl)phenyl]-7-methoxyindolizin-3-yl]ethanone?
The InChIKey is GMXMZKZEBRJELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-12(21)17-10-16(15-6-4-3-5-13(15)11-20)18-9-14(22-2)7-8-19(17)18/h3-10,20H,11H2,1-2H3.
What are the key properties of 1-[1-[2-(hydroxymethyl)phenyl]-7-methoxyindolizin-3-yl]ethanone?
1-[1-[2-(hydroxymethyl)phenyl]-7-methoxyindolizin-3-yl]ethanone has a molecular weight of 295.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(hydroxymethyl)phenyl]-7-methoxyindolizin-3-yl]ethanone is sourced from PubChem (CID 127026588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).