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

C23H19NO3 — CID 70680608

IUPAC1-[1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl]ethanone
SMILESCC(=O)c1cc(-c2ccccc2CO)c2cc(Oc3ccccc3)ccn12
InChIInChI=1S/C23H19NO3/c1-16(26)22-14-21(20-10-6-5-7-17(20)15-25)23-13-19(11-12-24(22)23)27-18-8-3-2-4-9-18/h2-14,25H,15H2,1H3
InChIKeyAHWAKNWAECVAHU-UHFFFAOYSA-N
MW357.41 g/mol
LogP5.09
Rot. Bonds5

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

1-[1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl]ethanone (PubChem CID 70680608) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl]ethanone
PubChem CID70680608
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name1-[1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl]ethanone
SMILESCC(=O)c1cc(-c2ccccc2CO)c2cc(Oc3ccccc3)ccn12
InChIInChI=1S/C23H19NO3/c1-16(26)22-14-21(20-10-6-5-7-17(20)15-25)23-13-19(11-12-24(22)23)27-18-8-3-2-4-9-18/h2-14,25H,15H2,1H3
InChIKeyAHWAKNWAECVAHU-UHFFFAOYSA-N
XLogP5.09
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 55.09
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-phenoxyindolizin-3-yl]ethanone?
The IUPAC name of 1-[1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl]ethanone (CID 70680608) is 1-[1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl]ethanone?
The canonical SMILES for 1-[1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl]ethanone is CC(=O)c1cc(-c2ccccc2CO)c2cc(Oc3ccccc3)ccn12.
What is the InChIKey of 1-[1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl]ethanone?
The InChIKey is AHWAKNWAECVAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-16(26)22-14-21(20-10-6-5-7-17(20)15-25)23-13-19(11-12-24(22)23)27-18-8-3-2-4-9-18/h2-14,25H,15H2,1H3.
What are the key properties of 1-[1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl]ethanone?
1-[1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl]ethanone has a molecular weight of 357.41 g/mol, XLogP of 5.09, 5 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-phenoxyindolizin-3-yl]ethanone is sourced from PubChem (CID 70680608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).