2-hydroxy-1-[9-(oxan-3-yl)carbazol-2-yl]ethanone

C19H19NO3 — CID 70955532

IUPAC2-hydroxy-1-[9-(oxan-3-yl)carbazol-2-yl]ethanone
SMILESO=C(CO)c1ccc2c3ccccc3n(C3CCCOC3)c2c1
InChIInChI=1S/C19H19NO3/c21-11-19(22)13-7-8-16-15-5-1-2-6-17(15)20(18(16)10-13)14-4-3-9-23-12-14/h1-2,5-8,10,14,21H,3-4,9,11-12H2
InChIKeyIJKKABOHMXBWOR-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.32
Rot. Bonds3

About 2-hydroxy-1-[9-(oxan-3-yl)carbazol-2-yl]ethanone

2-hydroxy-1-[9-(oxan-3-yl)carbazol-2-yl]ethanone (PubChem CID 70955532) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-hydroxy-1-[9-(oxan-3-yl)carbazol-2-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[9-(oxan-3-yl)carbazol-2-yl]ethanone
PubChem CID70955532
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name2-hydroxy-1-[9-(oxan-3-yl)carbazol-2-yl]ethanone
SMILESO=C(CO)c1ccc2c3ccccc3n(C3CCCOC3)c2c1
InChIInChI=1S/C19H19NO3/c21-11-19(22)13-7-8-16-15-5-1-2-6-17(15)20(18(16)10-13)14-4-3-9-23-12-14/h1-2,5-8,10,14,21H,3-4,9,11-12H2
InChIKeyIJKKABOHMXBWOR-UHFFFAOYSA-N
XLogP3.32
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[9-(oxan-3-yl)carbazol-2-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[9-(oxan-3-yl)carbazol-2-yl]ethanone (CID 70955532) is 2-hydroxy-1-[9-(oxan-3-yl)carbazol-2-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[9-(oxan-3-yl)carbazol-2-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[9-(oxan-3-yl)carbazol-2-yl]ethanone is O=C(CO)c1ccc2c3ccccc3n(C3CCCOC3)c2c1.
What is the InChIKey of 2-hydroxy-1-[9-(oxan-3-yl)carbazol-2-yl]ethanone?
The InChIKey is IJKKABOHMXBWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c21-11-19(22)13-7-8-16-15-5-1-2-6-17(15)20(18(16)10-13)14-4-3-9-23-12-14/h1-2,5-8,10,14,21H,3-4,9,11-12H2.
What are the key properties of 2-hydroxy-1-[9-(oxan-3-yl)carbazol-2-yl]ethanone?
2-hydroxy-1-[9-(oxan-3-yl)carbazol-2-yl]ethanone has a molecular weight of 309.37 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[9-(oxan-3-yl)carbazol-2-yl]ethanone is sourced from PubChem (CID 70955532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).