4-hydroxy-1-methoxyxanthen-9-one

C14H10O4 — CID 162982875

IUPAC4-hydroxy-1-methoxyxanthen-9-one
SMILESCOc1ccc(O)c2oc3ccccc3c(=O)c12
InChIInChI=1S/C14H10O4/c1-17-11-7-6-9(15)14-12(11)13(16)8-4-2-3-5-10(8)18-14/h2-7,15H,1H3
InChIKeyYJJLBYXCUDACHR-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.66
Rot. Bonds1

About 4-hydroxy-1-methoxyxanthen-9-one

4-hydroxy-1-methoxyxanthen-9-one (PubChem CID 162982875) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 4-hydroxy-1-methoxyxanthen-9-one.

Molecular Properties

Compound Name4-hydroxy-1-methoxyxanthen-9-one
PubChem CID162982875
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Name4-hydroxy-1-methoxyxanthen-9-one
SMILESCOc1ccc(O)c2oc3ccccc3c(=O)c12
InChIInChI=1S/C14H10O4/c1-17-11-7-6-9(15)14-12(11)13(16)8-4-2-3-5-10(8)18-14/h2-7,15H,1H3
InChIKeyYJJLBYXCUDACHR-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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Related Compounds

3,4-dihydroxy-1-methoxyxanthen-9-one
CID 86220474
3-hydroxy-1,2,4-trimethoxyxanthen-9-one
CID 5386265
1,7-dihydroxy-4-methoxyxanthen-9-one
CID 5465785
1,4-dihydroxy-7-methoxyxanthen-9-one
CID 15819467
1-ethenyl-4-methoxyxanthen-9-one
CID 11391100
1-hydroxy-3-methoxy-2,4-dimethylxanthen-9-one
CID 86028059
1,2-dihydroxy-5,6-dimethoxyxanthen-9-one
CID 10016947
1-hydroxy-3,4,8-trimethoxyxanthen-9-one
CID 162882586
1,2-dimethoxy-9-oxoxanthene-4-carbaldehyde
CID 71664197
1,5,8-trihydroxy-3,4-dimethoxyxanthen-9-one
CID 86183532
1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione
CID 139586019
1-ethyl-4-methoxydibenzofuran
CID 91030787

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methoxyxanthen-9-one?
The IUPAC name of 4-hydroxy-1-methoxyxanthen-9-one (CID 162982875) is 4-hydroxy-1-methoxyxanthen-9-one.
What is the SMILES notation for 4-hydroxy-1-methoxyxanthen-9-one?
The canonical SMILES for 4-hydroxy-1-methoxyxanthen-9-one is COc1ccc(O)c2oc3ccccc3c(=O)c12.
What is the InChIKey of 4-hydroxy-1-methoxyxanthen-9-one?
The InChIKey is YJJLBYXCUDACHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c1-17-11-7-6-9(15)14-12(11)13(16)8-4-2-3-5-10(8)18-14/h2-7,15H,1H3.
What are the key properties of 4-hydroxy-1-methoxyxanthen-9-one?
4-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 4-hydroxy-1-methoxyxanthen-9-one is sourced from PubChem (CID 162982875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).