7-hydroxy-1-methoxyxanthen-9-one

C14H10O4 — CID 10490332

IUPAC7-hydroxy-1-methoxyxanthen-9-one
SMILESCOc1cccc2oc3ccc(O)cc3c(=O)c12
InChIInChI=1S/C14H10O4/c1-17-11-3-2-4-12-13(11)14(16)9-7-8(15)5-6-10(9)18-12/h2-7,15H,1H3
InChIKeyFWBCCNVJDMEVSM-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.66
Rot. Bonds1

About 7-hydroxy-1-methoxyxanthen-9-one

7-hydroxy-1-methoxyxanthen-9-one (PubChem CID 10490332) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 7-hydroxy-1-methoxyxanthen-9-one.

Molecular Properties

Compound Name7-hydroxy-1-methoxyxanthen-9-one
PubChem CID10490332
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Name7-hydroxy-1-methoxyxanthen-9-one
SMILESCOc1cccc2oc3ccc(O)cc3c(=O)c12
InChIInChI=1S/C14H10O4/c1-17-11-3-2-4-12-13(11)14(16)9-7-8(15)5-6-10(9)18-12/h2-7,15H,1H3
InChIKeyFWBCCNVJDMEVSM-UHFFFAOYSA-N
XLogP2.66
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxyxanthen-9-one?
The IUPAC name of 7-hydroxy-1-methoxyxanthen-9-one (CID 10490332) is 7-hydroxy-1-methoxyxanthen-9-one.
What is the SMILES notation for 7-hydroxy-1-methoxyxanthen-9-one?
The canonical SMILES for 7-hydroxy-1-methoxyxanthen-9-one is COc1cccc2oc3ccc(O)cc3c(=O)c12.
What is the InChIKey of 7-hydroxy-1-methoxyxanthen-9-one?
The InChIKey is FWBCCNVJDMEVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c1-17-11-3-2-4-12-13(11)14(16)9-7-8(15)5-6-10(9)18-12/h2-7,15H,1H3.
What are the key properties of 7-hydroxy-1-methoxyxanthen-9-one?
7-hydroxy-1-methoxyxanthen-9-one has a molecular weight of 242.23 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1-methoxyxanthen-9-one is sourced from PubChem (CID 10490332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).