2,4-dihydro-1H-xanthene-3,9-dione

C13H10O3 — CID 102501574

IUPAC2,4-dihydro-1H-xanthene-3,9-dione
SMILESO=C1CCc2c(oc3ccccc3c2=O)C1
InChIInChI=1S/C13H10O3/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h1-4H,5-7H2
InChIKeyWIHUOCIOUFVEOX-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.85
Rot. Bonds

About 2,4-dihydro-1H-xanthene-3,9-dione

2,4-dihydro-1H-xanthene-3,9-dione (PubChem CID 102501574) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2,4-dihydro-1H-xanthene-3,9-dione.

Molecular Properties

Compound Name2,4-dihydro-1H-xanthene-3,9-dione
PubChem CID102501574
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Name2,4-dihydro-1H-xanthene-3,9-dione
SMILESO=C1CCc2c(oc3ccccc3c2=O)C1
InChIInChI=1S/C13H10O3/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h1-4H,5-7H2
InChIKeyWIHUOCIOUFVEOX-UHFFFAOYSA-N
XLogP1.85
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-thiopyrano[2,3-b]chromen-5-one
CID 170838303
propane;xanthen-9-one
CID 90876458
methanesulfonyl chloride;1,2,3,4-tetrahydrodibenzofuran
CID 91589984
1,1-dioxo-2H-thiopyrano[3,2-b]chromen-10-one
CID 174814629
2,3-dihydroxanthen-9-one
CID 144768115
1-butan-2-yl-3,4-dihydroxanthen-9-one
CID 10658605
4-(9-oxoxanthen-4-yl)xanthen-9-one
CID 58280681
2,3-dihydro-1H-pyrano[2,3-c]xanthen-7-one
CID 58280704
2,5,6,11c-tetrahydro-1H-[1]benzofuro[2,3-g]indolizin-3-one
CID 102396612
(1E)-1-butylidene-3,4-dihydro-2H-xanthen-9-one
CID 10824843
1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one
CID 13136922
2-iodo-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine
CID 149450508

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydro-1H-xanthene-3,9-dione?
The IUPAC name of 2,4-dihydro-1H-xanthene-3,9-dione (CID 102501574) is 2,4-dihydro-1H-xanthene-3,9-dione.
What is the SMILES notation for 2,4-dihydro-1H-xanthene-3,9-dione?
The canonical SMILES for 2,4-dihydro-1H-xanthene-3,9-dione is O=C1CCc2c(oc3ccccc3c2=O)C1.
What is the InChIKey of 2,4-dihydro-1H-xanthene-3,9-dione?
The InChIKey is WIHUOCIOUFVEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h1-4H,5-7H2.
What are the key properties of 2,4-dihydro-1H-xanthene-3,9-dione?
2,4-dihydro-1H-xanthene-3,9-dione has a molecular weight of 214.22 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydro-1H-xanthene-3,9-dione is sourced from PubChem (CID 102501574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).