1,2-dihydroxy-5,6-dimethoxyxanthen-9-one

C15H12O6 — CID 10016947

IUPAC1,2-dihydroxy-5,6-dimethoxyxanthen-9-one
SMILESCOc1ccc2c(=O)c3c(O)c(O)ccc3oc2c1OC
InChIInChI=1S/C15H12O6/c1-19-10-5-3-7-12(17)11-9(6-4-8(16)13(11)18)21-14(7)15(10)20-2/h3-6,16,18H,1-2H3
InChIKeyLZLVACAUDLBOKV-UHFFFAOYSA-N
MW288.25 g/mol
LogP2.37
Rot. Bonds2

About 1,2-dihydroxy-5,6-dimethoxyxanthen-9-one

1,2-dihydroxy-5,6-dimethoxyxanthen-9-one (PubChem CID 10016947) has the molecular formula C15H12O6 and a molecular weight of 288.25 g/mol. Its IUPAC name is 1,2-dihydroxy-5,6-dimethoxyxanthen-9-one.

Molecular Properties

Compound Name1,2-dihydroxy-5,6-dimethoxyxanthen-9-one
PubChem CID10016947
Molecular FormulaC15H12O6
Molecular Weight288.25 g/mol
Exact Mass288.06
IUPAC Name1,2-dihydroxy-5,6-dimethoxyxanthen-9-one
SMILESCOc1ccc2c(=O)c3c(O)c(O)ccc3oc2c1OC
InChIInChI=1S/C15H12O6/c1-19-10-5-3-7-12(17)11-9(6-4-8(16)13(11)18)21-14(7)15(10)20-2/h3-6,16,18H,1-2H3
InChIKeyLZLVACAUDLBOKV-UHFFFAOYSA-N
XLogP2.37
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2,4-dihydroxy-1,5,6-trimethoxyxanthen-9-one
CID 162973215
1,2,5-trihydroxyxanthen-9-one
CID 10060362
1,3-dihydroxy-2,5,6,7-tetramethoxyxanthen-9-one
CID 91189315
1,7-dihydroxy-4-methoxyxanthen-9-one
CID 5465785
4-hydroxy-1-methoxyxanthen-9-one
CID 162982875
1,2,6-trihydroxy-8-methoxyxanthen-9-one
CID 123716536
1,3,6-trihydroxy-5-methoxy-2-(3-methylbut-2-enyl)xanthen-9-one
CID 14886043
3,5,6-trihydroxy-2-(2-methoxyphenyl)chromen-4-one
CID 175305896
3,5,6-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
CID 141478271
7-hydroxy-1,2-dimethoxyxanthen-9-one
CID 86062550
2,3-dimethoxybicyclo[4.1.0]hepta-1(6),2,4-trien-7-one
CID 174869830
3-(2,5-dihydroxyphenyl)-7,8-dimethoxychromen-4-one
CID 142746801

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroxy-5,6-dimethoxyxanthen-9-one?
The IUPAC name of 1,2-dihydroxy-5,6-dimethoxyxanthen-9-one (CID 10016947) is 1,2-dihydroxy-5,6-dimethoxyxanthen-9-one.
What is the SMILES notation for 1,2-dihydroxy-5,6-dimethoxyxanthen-9-one?
The canonical SMILES for 1,2-dihydroxy-5,6-dimethoxyxanthen-9-one is COc1ccc2c(=O)c3c(O)c(O)ccc3oc2c1OC.
What is the InChIKey of 1,2-dihydroxy-5,6-dimethoxyxanthen-9-one?
The InChIKey is LZLVACAUDLBOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O6/c1-19-10-5-3-7-12(17)11-9(6-4-8(16)13(11)18)21-14(7)15(10)20-2/h3-6,16,18H,1-2H3.
What are the key properties of 1,2-dihydroxy-5,6-dimethoxyxanthen-9-one?
1,2-dihydroxy-5,6-dimethoxyxanthen-9-one has a molecular weight of 288.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroxy-5,6-dimethoxyxanthen-9-one is sourced from PubChem (CID 10016947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).