1,5-dihydroxy-3-methoxyxanthen-9-one

C14H10O5 — CID 5281651

IUPAC1,5-dihydroxy-3-methoxyxanthen-9-one
SMILESCOc1cc(O)c2c(=O)c3cccc(O)c3oc2c1
InChIInChI=1S/C14H10O5/c1-18-7-5-10(16)12-11(6-7)19-14-8(13(12)17)3-2-4-9(14)15/h2-6,15-16H,1H3
InChIKeyIQIGECASJMDDMD-UHFFFAOYSA-N
MW258.23 g/mol
LogP2.37
Rot. Bonds1

About 1,5-dihydroxy-3-methoxyxanthen-9-one

1,5-dihydroxy-3-methoxyxanthen-9-one (PubChem CID 5281651) has the molecular formula C14H10O5 and a molecular weight of 258.23 g/mol. Its IUPAC name is 1,5-dihydroxy-3-methoxyxanthen-9-one.

Molecular Properties

Compound Name1,5-dihydroxy-3-methoxyxanthen-9-one
PubChem CID5281651
Molecular FormulaC14H10O5
Molecular Weight258.23 g/mol
Exact Mass258.05
IUPAC Name1,5-dihydroxy-3-methoxyxanthen-9-one
SMILESCOc1cc(O)c2c(=O)c3cccc(O)c3oc2c1
InChIInChI=1S/C14H10O5/c1-18-7-5-10(16)12-11(6-7)19-14-8(13(12)17)3-2-4-9(14)15/h2-6,15-16H,1H3
InChIKeyIQIGECASJMDDMD-UHFFFAOYSA-N
XLogP2.37
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
3-(3-chloro-2-sulfanylpropoxy)-1-hydroxy-5-methoxyxanthen-9-one
CID 51038187
1,8-dihydroxy-2,3,4,6-tetramethoxyxanthen-9-one
CID 5487631
3,5-dihydroxy-2-(3-hydroxy-2-methoxyphenyl)-7-methoxychromen-4-one
CID 11012936
5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one
CID 139068259
1-hydroxy-5-methyl-3-(3-oxobutan-2-yloxy)xanthen-9-one
CID 6221829
1,4-dihydroxy-7-methoxyxanthen-9-one
CID 15819467
4,5-dihydroxy-7-methoxychromen-2-one
CID 82371903
1,2,5-trihydroxyxanthen-9-one
CID 10060362
1-hydroxy-7-methoxy-3-propan-2-yloxyxanthen-9-one
CID 6221914
(2S,3R)-8-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-10-methoxy-2,3-dihydro-[1,4]dioxino[2,3-c]xanthen-7-one
CID 162915863
1-hydroxy-3,4,5-trimethoxyxanthen-9-one
CID 72944463

Frequently Asked Questions

What is the IUPAC name of 1,5-dihydroxy-3-methoxyxanthen-9-one?
The IUPAC name of 1,5-dihydroxy-3-methoxyxanthen-9-one (CID 5281651) is 1,5-dihydroxy-3-methoxyxanthen-9-one.
What is the SMILES notation for 1,5-dihydroxy-3-methoxyxanthen-9-one?
The canonical SMILES for 1,5-dihydroxy-3-methoxyxanthen-9-one is COc1cc(O)c2c(=O)c3cccc(O)c3oc2c1.
What is the InChIKey of 1,5-dihydroxy-3-methoxyxanthen-9-one?
The InChIKey is IQIGECASJMDDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O5/c1-18-7-5-10(16)12-11(6-7)19-14-8(13(12)17)3-2-4-9(14)15/h2-6,15-16H,1H3.
What are the key properties of 1,5-dihydroxy-3-methoxyxanthen-9-one?
1,5-dihydroxy-3-methoxyxanthen-9-one has a molecular weight of 258.23 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydroxy-3-methoxyxanthen-9-one is sourced from PubChem (CID 5281651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).