(12R)-12-hydroxy-12H-benzo[d][1,3]benzodioxonin-13-one

C15H12O4 — CID 129388564

IUPAC(12R)-12-hydroxy-12H-benzo[d][1,3]benzodioxonin-13-one
SMILESO=C1c2ccccc2OCOc2ccccc2[C@H]1O
InChIInChI=1S/C15H12O4/c16-14-10-5-1-3-7-12(10)18-9-19-13-8-4-2-6-11(13)15(14)17/h1-8,14,16H,9H2/t14-/m1/s1
InChIKeyIGVSYWQTKLXUPR-CQSZACIVSA-N
MW256.26 g/mol
LogP2.33
Rot. Bonds

About (12R)-12-hydroxy-12H-benzo[d][1,3]benzodioxonin-13-one

(12R)-12-hydroxy-12H-benzo[d][1,3]benzodioxonin-13-one (PubChem CID 129388564) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is (12R)-12-hydroxy-12H-benzo[d][1,3]benzodioxonin-13-one.

Molecular Properties

Compound Name(12R)-12-hydroxy-12H-benzo[d][1,3]benzodioxonin-13-one
PubChem CID129388564
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name(12R)-12-hydroxy-12H-benzo[d][1,3]benzodioxonin-13-one
SMILESO=C1c2ccccc2OCOc2ccccc2[C@H]1O
InChIInChI=1S/C15H12O4/c16-14-10-5-1-3-7-12(10)18-9-19-13-8-4-2-6-11(13)15(14)17/h1-8,14,16H,9H2/t14-/m1/s1
InChIKeyIGVSYWQTKLXUPR-CQSZACIVSA-N
XLogP2.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (12R)-12-hydroxy-12H-benzo[d][1,3]benzodioxonin-13-one?
The IUPAC name of (12R)-12-hydroxy-12H-benzo[d][1,3]benzodioxonin-13-one (CID 129388564) is (12R)-12-hydroxy-12H-benzo[d][1,3]benzodioxonin-13-one.
What is the SMILES notation for (12R)-12-hydroxy-12H-benzo[d][1,3]benzodioxonin-13-one?
The canonical SMILES for (12R)-12-hydroxy-12H-benzo[d][1,3]benzodioxonin-13-one is O=C1c2ccccc2OCOc2ccccc2[C@H]1O.
What is the InChIKey of (12R)-12-hydroxy-12H-benzo[d][1,3]benzodioxonin-13-one?
The InChIKey is IGVSYWQTKLXUPR-CQSZACIVSA-N. The full InChI is InChI=1S/C15H12O4/c16-14-10-5-1-3-7-12(10)18-9-19-13-8-4-2-6-11(13)15(14)17/h1-8,14,16H,9H2/t14-/m1/s1.
What are the key properties of (12R)-12-hydroxy-12H-benzo[d][1,3]benzodioxonin-13-one?
(12R)-12-hydroxy-12H-benzo[d][1,3]benzodioxonin-13-one has a molecular weight of 256.26 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (12R)-12-hydroxy-12H-benzo[d][1,3]benzodioxonin-13-one is sourced from PubChem (CID 129388564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).