7-hydroxy-1,2-dimethoxyxanthen-9-one

C15H12O5 — CID 86062550

IUPAC7-hydroxy-1,2-dimethoxyxanthen-9-one
SMILESCOc1ccc2oc3ccc(O)cc3c(=O)c2c1OC
InChIInChI=1S/C15H12O5/c1-18-12-6-5-11-13(15(12)19-2)14(17)9-7-8(16)3-4-10(9)20-11/h3-7,16H,1-2H3
InChIKeyAJSIQUDZIDRLOT-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.67
Rot. Bonds2

About 7-hydroxy-1,2-dimethoxyxanthen-9-one

7-hydroxy-1,2-dimethoxyxanthen-9-one (PubChem CID 86062550) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 7-hydroxy-1,2-dimethoxyxanthen-9-one.

Molecular Properties

Compound Name7-hydroxy-1,2-dimethoxyxanthen-9-one
PubChem CID86062550
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name7-hydroxy-1,2-dimethoxyxanthen-9-one
SMILESCOc1ccc2oc3ccc(O)cc3c(=O)c2c1OC
InChIInChI=1S/C15H12O5/c1-18-12-6-5-11-13(15(12)19-2)14(17)9-7-8(16)3-4-10(9)20-11/h3-7,16H,1-2H3
InChIKeyAJSIQUDZIDRLOT-UHFFFAOYSA-N
XLogP2.67
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 7-hydroxy-1,2-dimethoxyxanthen-9-one?
The IUPAC name of 7-hydroxy-1,2-dimethoxyxanthen-9-one (CID 86062550) is 7-hydroxy-1,2-dimethoxyxanthen-9-one.
What is the SMILES notation for 7-hydroxy-1,2-dimethoxyxanthen-9-one?
The canonical SMILES for 7-hydroxy-1,2-dimethoxyxanthen-9-one is COc1ccc2oc3ccc(O)cc3c(=O)c2c1OC.
What is the InChIKey of 7-hydroxy-1,2-dimethoxyxanthen-9-one?
The InChIKey is AJSIQUDZIDRLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c1-18-12-6-5-11-13(15(12)19-2)14(17)9-7-8(16)3-4-10(9)20-11/h3-7,16H,1-2H3.
What are the key properties of 7-hydroxy-1,2-dimethoxyxanthen-9-one?
7-hydroxy-1,2-dimethoxyxanthen-9-one has a molecular weight of 272.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1,2-dimethoxyxanthen-9-one is sourced from PubChem (CID 86062550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).