1-hydroxy-3,7-dimethoxyxanthen-9-one

C15H12O5 — CID 5488808

IUPAC1-hydroxy-3,7-dimethoxyxanthen-9-one
SMILESCOc1cc(O)c2c(=O)c3cc(OC)ccc3oc2c1
InChIInChI=1S/C15H12O5/c1-18-8-3-4-12-10(5-8)15(17)14-11(16)6-9(19-2)7-13(14)20-12/h3-7,16H,1-2H3
InChIKeyFWBPZAVSTQBRKT-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.67
Rot. Bonds2

About 1-hydroxy-3,7-dimethoxyxanthen-9-one

1-hydroxy-3,7-dimethoxyxanthen-9-one (PubChem CID 5488808) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 1-hydroxy-3,7-dimethoxyxanthen-9-one.

Molecular Properties

Compound Name1-hydroxy-3,7-dimethoxyxanthen-9-one
PubChem CID5488808
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name1-hydroxy-3,7-dimethoxyxanthen-9-one
SMILESCOc1cc(O)c2c(=O)c3cc(OC)ccc3oc2c1
InChIInChI=1S/C15H12O5/c1-18-8-3-4-12-10(5-8)15(17)14-11(16)6-9(19-2)7-13(14)20-12/h3-7,16H,1-2H3
InChIKeyFWBPZAVSTQBRKT-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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Related Compounds

Quercetin
CID 5280343
Genistein
CID 5280961
Tangeretin
CID 68077
Taxifolin
CID 439533
Myricetin
CID 5281672
Octabenzone
CID 15797
Apigenin
CID 5280443
Diosmetin
CID 5281612
2-Hydroxy-4-methoxybenzophenone
CID 4632
Hesperetin
CID 72281
Daidzin
CID 107971
(+)-Dihydromyricetin
CID 161557

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3,7-dimethoxyxanthen-9-one?
The IUPAC name of 1-hydroxy-3,7-dimethoxyxanthen-9-one (CID 5488808) is 1-hydroxy-3,7-dimethoxyxanthen-9-one.
What is the SMILES notation for 1-hydroxy-3,7-dimethoxyxanthen-9-one?
The canonical SMILES for 1-hydroxy-3,7-dimethoxyxanthen-9-one is COc1cc(O)c2c(=O)c3cc(OC)ccc3oc2c1.
What is the InChIKey of 1-hydroxy-3,7-dimethoxyxanthen-9-one?
The InChIKey is FWBPZAVSTQBRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c1-18-8-3-4-12-10(5-8)15(17)14-11(16)6-9(19-2)7-13(14)20-12/h3-7,16H,1-2H3.
What are the key properties of 1-hydroxy-3,7-dimethoxyxanthen-9-one?
1-hydroxy-3,7-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 1-hydroxy-3,7-dimethoxyxanthen-9-one is sourced from PubChem (CID 5488808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).