7-hydroxy-1,2,3-trimethoxyxanthen-9-one

C16H14O6 — CID 5320290

IUPAC7-hydroxy-1,2,3-trimethoxyxanthen-9-one
SMILESCOc1cc2oc3ccc(O)cc3c(=O)c2c(OC)c1OC
InChIInChI=1S/C16H14O6/c1-19-12-7-11-13(16(21-3)15(12)20-2)14(18)9-6-8(17)4-5-10(9)22-11/h4-7,17H,1-3H3
InChIKeyPLTRADDVONOEAX-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.68
Rot. Bonds3

About 7-hydroxy-1,2,3-trimethoxyxanthen-9-one

7-hydroxy-1,2,3-trimethoxyxanthen-9-one (PubChem CID 5320290) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is 7-hydroxy-1,2,3-trimethoxyxanthen-9-one.

Molecular Properties

Compound Name7-hydroxy-1,2,3-trimethoxyxanthen-9-one
PubChem CID5320290
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Name7-hydroxy-1,2,3-trimethoxyxanthen-9-one
SMILESCOc1cc2oc3ccc(O)cc3c(=O)c2c(OC)c1OC
InChIInChI=1S/C16H14O6/c1-19-12-7-11-13(16(21-3)15(12)20-2)14(18)9-6-8(17)4-5-10(9)22-11/h4-7,17H,1-3H3
InChIKeyPLTRADDVONOEAX-UHFFFAOYSA-N
XLogP2.68
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-1,2,3-trimethoxyxanthen-9-one?
The IUPAC name of 7-hydroxy-1,2,3-trimethoxyxanthen-9-one (CID 5320290) is 7-hydroxy-1,2,3-trimethoxyxanthen-9-one.
What is the SMILES notation for 7-hydroxy-1,2,3-trimethoxyxanthen-9-one?
The canonical SMILES for 7-hydroxy-1,2,3-trimethoxyxanthen-9-one is COc1cc2oc3ccc(O)cc3c(=O)c2c(OC)c1OC.
What is the InChIKey of 7-hydroxy-1,2,3-trimethoxyxanthen-9-one?
The InChIKey is PLTRADDVONOEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O6/c1-19-12-7-11-13(16(21-3)15(12)20-2)14(18)9-6-8(17)4-5-10(9)22-11/h4-7,17H,1-3H3.
What are the key properties of 7-hydroxy-1,2,3-trimethoxyxanthen-9-one?
7-hydroxy-1,2,3-trimethoxyxanthen-9-one has a molecular weight of 302.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1,2,3-trimethoxyxanthen-9-one is sourced from PubChem (CID 5320290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).