1,3-dihydroxyxanthen-9-one

C13H8O4 — CID 5488193

IUPAC1,3-dihydroxyxanthen-9-one
SMILESO=c1c2ccccc2oc2cc(O)cc(O)c12
InChIInChI=1S/C13H8O4/c14-7-5-9(15)12-11(6-7)17-10-4-2-1-3-8(10)13(12)16/h1-6,14-15H
InChIKeyGTHOERCJZSJGHB-UHFFFAOYSA-N
MW228.20 g/mol
LogP2.36
Rot. Bonds

About 1,3-dihydroxyxanthen-9-one

1,3-dihydroxyxanthen-9-one (PubChem CID 5488193) has the molecular formula C13H8O4 and a molecular weight of 228.20 g/mol. Its IUPAC name is 1,3-dihydroxyxanthen-9-one.

Molecular Properties

Compound Name1,3-dihydroxyxanthen-9-one
PubChem CID5488193
Molecular FormulaC13H8O4
Molecular Weight228.20 g/mol
Exact Mass228.04
IUPAC Name1,3-dihydroxyxanthen-9-one
SMILESO=c1c2ccccc2oc2cc(O)cc(O)c12
InChIInChI=1S/C13H8O4/c14-7-5-9(15)12-11(6-7)17-10-4-2-1-3-8(10)13(12)16/h1-6,14-15H
InChIKeyGTHOERCJZSJGHB-UHFFFAOYSA-N
XLogP2.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 52.36
H-Bond Donors ≤ 52
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-hydroxy-1-iodoxanthen-9-one
CID 15499988
3-[(4-fluorophenyl)methoxy]-1-hydroxyxanthen-9-one
CID 6226763
5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 68816707
1,3,6,8-tetrahydroxy-2-(2-hydroxynaphthalen-1-yl)xanthen-9-one
CID 54576745
3,5,7-trihydroxy-2-phenylchromen-4-one
CID 162642124
1-hydroxy-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]xanthen-9-one
CID 53305863
1-hydroxy-3-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]xanthen-9-one iodide
CID 118713872
1,3,8-trihydroxy-5-sulfanylxanthen-9-one
CID 141458514
7,9-dihydroxy-2,2-diphenyl-[1,3]dioxolo[4,5-c]xanthen-6-one
CID 23628950
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
CID 5280862
1-chloro-9-oxoxanthene-3-carboxylic acid
CID 141148517
1-hydroxy-6-methylxanthen-9-one
CID 13031893

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxyxanthen-9-one?
The IUPAC name of 1,3-dihydroxyxanthen-9-one (CID 5488193) is 1,3-dihydroxyxanthen-9-one.
What is the SMILES notation for 1,3-dihydroxyxanthen-9-one?
The canonical SMILES for 1,3-dihydroxyxanthen-9-one is O=c1c2ccccc2oc2cc(O)cc(O)c12.
What is the InChIKey of 1,3-dihydroxyxanthen-9-one?
The InChIKey is GTHOERCJZSJGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O4/c14-7-5-9(15)12-11(6-7)17-10-4-2-1-3-8(10)13(12)16/h1-6,14-15H.
What are the key properties of 1,3-dihydroxyxanthen-9-one?
1,3-dihydroxyxanthen-9-one has a molecular weight of 228.20 g/mol, XLogP of 2.36, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxyxanthen-9-one is sourced from PubChem (CID 5488193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).