6-hydroxy-1,3,5,7-tetramethoxyxanthen-9-one

C17H16O7 — CID 102460794

IUPAC6-hydroxy-1,3,5,7-tetramethoxyxanthen-9-one
SMILESCOc1cc(OC)c2c(=O)c3cc(OC)c(O)c(OC)c3oc2c1
InChIInChI=1S/C17H16O7/c1-20-8-5-10(21-2)13-11(6-8)24-16-9(14(13)18)7-12(22-3)15(19)17(16)23-4/h5-7,19H,1-4H3
InChIKeyCYPTUXAPGYYRNQ-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.69
Rot. Bonds4

About 6-hydroxy-1,3,5,7-tetramethoxyxanthen-9-one

6-hydroxy-1,3,5,7-tetramethoxyxanthen-9-one (PubChem CID 102460794) has the molecular formula C17H16O7 and a molecular weight of 332.31 g/mol. Its IUPAC name is 6-hydroxy-1,3,5,7-tetramethoxyxanthen-9-one.

Molecular Properties

Compound Name6-hydroxy-1,3,5,7-tetramethoxyxanthen-9-one
PubChem CID102460794
Molecular FormulaC17H16O7
Molecular Weight332.31 g/mol
Exact Mass332.09
IUPAC Name6-hydroxy-1,3,5,7-tetramethoxyxanthen-9-one
SMILESCOc1cc(OC)c2c(=O)c3cc(OC)c(O)c(OC)c3oc2c1
InChIInChI=1S/C17H16O7/c1-20-8-5-10(21-2)13-11(6-8)24-16-9(14(13)18)7-12(22-3)15(19)17(16)23-4/h5-7,19H,1-4H3
InChIKeyCYPTUXAPGYYRNQ-UHFFFAOYSA-N
XLogP2.69
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1,6-dihydroxy-3,5,7-trimethoxyxanthen-9-one
CID 5316837
1,2-dihydroxy-3,5,7-trimethoxyxanthen-9-one
CID 174874311
1,3-dihydroxy-2,5,6,7-tetramethoxyxanthen-9-one
CID 91189315
2-(4-hydroxyphenyl)-3,5,7-trimethoxychromen-4-one
CID 14414499
1,8-dihydroxy-2,3,4,6-tetramethoxyxanthen-9-one
CID 5487631
4-hydroxy-7,9-dimethoxy-3-phenylpyrano[3,2-b][1]benzofuran-2-one
CID 54749855
1,5-dihydroxy-3-methoxyxanthen-9-one
CID 5281651
(6-acetyloxy-3,5,7,8-tetramethoxy-9-oxoxanthen-1-yl) acetate
CID 71326107
4,5,7-trimethoxy-3-(4-methoxyphenyl)chromen-2-one
CID 631155
3,5-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxychromen-4-one
CID 12532439
5,7-dimethoxy-3-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 141204632
1,2-dihydroxy-5,6-dimethoxyxanthen-9-one
CID 10016947

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3,5,7-tetramethoxyxanthen-9-one?
The IUPAC name of 6-hydroxy-1,3,5,7-tetramethoxyxanthen-9-one (CID 102460794) is 6-hydroxy-1,3,5,7-tetramethoxyxanthen-9-one.
What is the SMILES notation for 6-hydroxy-1,3,5,7-tetramethoxyxanthen-9-one?
The canonical SMILES for 6-hydroxy-1,3,5,7-tetramethoxyxanthen-9-one is COc1cc(OC)c2c(=O)c3cc(OC)c(O)c(OC)c3oc2c1.
What is the InChIKey of 6-hydroxy-1,3,5,7-tetramethoxyxanthen-9-one?
The InChIKey is CYPTUXAPGYYRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O7/c1-20-8-5-10(21-2)13-11(6-8)24-16-9(14(13)18)7-12(22-3)15(19)17(16)23-4/h5-7,19H,1-4H3.
What are the key properties of 6-hydroxy-1,3,5,7-tetramethoxyxanthen-9-one?
6-hydroxy-1,3,5,7-tetramethoxyxanthen-9-one has a molecular weight of 332.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3,5,7-tetramethoxyxanthen-9-one is sourced from PubChem (CID 102460794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).