3-[(4-fluorophenyl)methoxy]-1-hydroxyxanthen-9-one

C20H13FO4 — CID 6226763

IUPAC3-[(4-fluorophenyl)methoxy]-1-hydroxyxanthen-9-one
SMILESO=c1c2ccccc2oc2cc(OCc3ccc(F)cc3)cc(O)c12
InChIInChI=1S/C20H13FO4/c21-13-7-5-12(6-8-13)11-24-14-9-16(22)19-18(10-14)25-17-4-2-1-3-15(17)20(19)23/h1-10,22H,11H2
InChIKeyYPMRLXHCKOCVMH-UHFFFAOYSA-N
MW336.32 g/mol
LogP4.37
Rot. Bonds3

About 3-[(4-fluorophenyl)methoxy]-1-hydroxyxanthen-9-one

3-[(4-fluorophenyl)methoxy]-1-hydroxyxanthen-9-one (PubChem CID 6226763) has the molecular formula C20H13FO4 and a molecular weight of 336.32 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]-1-hydroxyxanthen-9-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxy]-1-hydroxyxanthen-9-one
PubChem CID6226763
Molecular FormulaC20H13FO4
Molecular Weight336.32 g/mol
Exact Mass336.08
IUPAC Name3-[(4-fluorophenyl)methoxy]-1-hydroxyxanthen-9-one
SMILESO=c1c2ccccc2oc2cc(OCc3ccc(F)cc3)cc(O)c12
InChIInChI=1S/C20H13FO4/c21-13-7-5-12(6-8-13)11-24-14-9-16(22)19-18(10-14)25-17-4-2-1-3-15(17)20(19)23/h1-10,22H,11H2
InChIKeyYPMRLXHCKOCVMH-UHFFFAOYSA-N
XLogP4.37
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 54.37
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 3-[(4-fluorophenyl)methoxy]-1-hydroxyxanthen-9-one?
The IUPAC name of 3-[(4-fluorophenyl)methoxy]-1-hydroxyxanthen-9-one (CID 6226763) is 3-[(4-fluorophenyl)methoxy]-1-hydroxyxanthen-9-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]-1-hydroxyxanthen-9-one?
The canonical SMILES for 3-[(4-fluorophenyl)methoxy]-1-hydroxyxanthen-9-one is O=c1c2ccccc2oc2cc(OCc3ccc(F)cc3)cc(O)c12.
What is the InChIKey of 3-[(4-fluorophenyl)methoxy]-1-hydroxyxanthen-9-one?
The InChIKey is YPMRLXHCKOCVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FO4/c21-13-7-5-12(6-8-13)11-24-14-9-16(22)19-18(10-14)25-17-4-2-1-3-15(17)20(19)23/h1-10,22H,11H2.
What are the key properties of 3-[(4-fluorophenyl)methoxy]-1-hydroxyxanthen-9-one?
3-[(4-fluorophenyl)methoxy]-1-hydroxyxanthen-9-one has a molecular weight of 336.32 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methoxy]-1-hydroxyxanthen-9-one is sourced from PubChem (CID 6226763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).