1,8-dihydroxy-1,2-dimethoxy-2H-xanthen-9-one

C15H14O6 — CID 139291584

IUPAC1,8-dihydroxy-1,2-dimethoxy-2H-xanthen-9-one
SMILESCOC1C=Cc2oc3cccc(O)c3c(=O)c2C1(O)OC
InChIInChI=1S/C15H14O6/c1-19-11-7-6-10-13(15(11,18)20-2)14(17)12-8(16)4-3-5-9(12)21-10/h3-7,11,16,18H,1-2H3
InChIKeyWGYPOXKUWYMYDY-UHFFFAOYSA-N
MW290.27 g/mol
LogP1.33
Rot. Bonds2

About 1,8-dihydroxy-1,2-dimethoxy-2H-xanthen-9-one

1,8-dihydroxy-1,2-dimethoxy-2H-xanthen-9-one (PubChem CID 139291584) has the molecular formula C15H14O6 and a molecular weight of 290.27 g/mol. Its IUPAC name is 1,8-dihydroxy-1,2-dimethoxy-2H-xanthen-9-one.

Molecular Properties

Compound Name1,8-dihydroxy-1,2-dimethoxy-2H-xanthen-9-one
PubChem CID139291584
Molecular FormulaC15H14O6
Molecular Weight290.27 g/mol
Exact Mass290.08
IUPAC Name1,8-dihydroxy-1,2-dimethoxy-2H-xanthen-9-one
SMILESCOC1C=Cc2oc3cccc(O)c3c(=O)c2C1(O)OC
InChIInChI=1S/C15H14O6/c1-19-11-7-6-10-13(15(11,18)20-2)14(17)12-8(16)4-3-5-9(12)21-10/h3-7,11,16,18H,1-2H3
InChIKeyWGYPOXKUWYMYDY-UHFFFAOYSA-N
XLogP1.33
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
CID 14269668
methyl (1S,2S,3S)-2,3,8-trihydroxy-3-methyl-9-oxo-2,4-dihydro-1H-xanthene-1-carboxylate
CID 57333289
1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione
CID 139586019
1-hydroxy-6-methylxanthen-9-one
CID 13031893
methyl (1R,2R)-2,8-dihydroxy-6-(hydroxymethyl)-9-oxo-1,2-dihydroxanthene-1-carboxylate
CID 5472392
(4R,8R)-2,18-dihydroxy-4-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
CID 66575592
methyl 3,8-dihydroxy-2-methoxy-9-oxoxanthene-1-carboxylate
CID 170989946
3-ethyl-1,8-dihydroxyxanthen-9-one
CID 164763934
2,18-dihydroxy-4-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one
CID 163064083
(4S)-2,4,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
CID 46842221
3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 5393154
methyl 1,3,8-trihydroxy-6-methyl-9-oxo-2,3-dihydrocyclopenta[b]chromene-1-carboxylate
CID 162980907

Frequently Asked Questions

What is the IUPAC name of 1,8-dihydroxy-1,2-dimethoxy-2H-xanthen-9-one?
The IUPAC name of 1,8-dihydroxy-1,2-dimethoxy-2H-xanthen-9-one (CID 139291584) is 1,8-dihydroxy-1,2-dimethoxy-2H-xanthen-9-one.
What is the SMILES notation for 1,8-dihydroxy-1,2-dimethoxy-2H-xanthen-9-one?
The canonical SMILES for 1,8-dihydroxy-1,2-dimethoxy-2H-xanthen-9-one is COC1C=Cc2oc3cccc(O)c3c(=O)c2C1(O)OC.
What is the InChIKey of 1,8-dihydroxy-1,2-dimethoxy-2H-xanthen-9-one?
The InChIKey is WGYPOXKUWYMYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O6/c1-19-11-7-6-10-13(15(11,18)20-2)14(17)12-8(16)4-3-5-9(12)21-10/h3-7,11,16,18H,1-2H3.
What are the key properties of 1,8-dihydroxy-1,2-dimethoxy-2H-xanthen-9-one?
1,8-dihydroxy-1,2-dimethoxy-2H-xanthen-9-one has a molecular weight of 290.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dihydroxy-1,2-dimethoxy-2H-xanthen-9-one is sourced from PubChem (CID 139291584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).