4-hydroxyxanthen-9-one

C13H8O3 — CID 611428

IUPAC4-hydroxyxanthen-9-one
SMILESO=c1c2ccccc2oc2c(O)cccc12
InChIInChI=1S/C13H8O3/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h1-7,14H
InChIKeyKBQFPPUAIJHDCO-UHFFFAOYSA-N
MW212.20 g/mol
LogP2.65
Rot. Bonds

About 4-hydroxyxanthen-9-one

4-hydroxyxanthen-9-one (PubChem CID 611428) has the molecular formula C13H8O3 and a molecular weight of 212.20 g/mol. Its IUPAC name is 4-hydroxyxanthen-9-one.

Molecular Properties

Compound Name4-hydroxyxanthen-9-one
PubChem CID611428
Molecular FormulaC13H8O3
Molecular Weight212.20 g/mol
Exact Mass212.05
IUPAC Name4-hydroxyxanthen-9-one
SMILESO=c1c2ccccc2oc2c(O)cccc12
InChIInChI=1S/C13H8O3/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h1-7,14H
InChIKeyKBQFPPUAIJHDCO-UHFFFAOYSA-N
XLogP2.65
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxyxanthen-9-one?
The IUPAC name of 4-hydroxyxanthen-9-one (CID 611428) is 4-hydroxyxanthen-9-one.
What is the SMILES notation for 4-hydroxyxanthen-9-one?
The canonical SMILES for 4-hydroxyxanthen-9-one is O=c1c2ccccc2oc2c(O)cccc12.
What is the InChIKey of 4-hydroxyxanthen-9-one?
The InChIKey is KBQFPPUAIJHDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O3/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h1-7,14H.
What are the key properties of 4-hydroxyxanthen-9-one?
4-hydroxyxanthen-9-one has a molecular weight of 212.20 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyxanthen-9-one is sourced from PubChem (CID 611428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).