2,3-dihydroxanthen-9-one

C13H10O2 — CID 144768115

IUPAC2,3-dihydroxanthen-9-one
SMILESO=c1c2c(oc3ccccc13)=CCCC=2
InChIInChI=1S/C13H10O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5-8H,2,4H2
InChIKeyNAPGWNWMEDJYJP-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.15
Rot. Bonds

About 2,3-dihydroxanthen-9-one

2,3-dihydroxanthen-9-one (PubChem CID 144768115) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2,3-dihydroxanthen-9-one.

Molecular Properties

Compound Name2,3-dihydroxanthen-9-one
PubChem CID144768115
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name2,3-dihydroxanthen-9-one
SMILESO=c1c2c(oc3ccccc13)=CCCC=2
InChIInChI=1S/C13H10O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5-8H,2,4H2
InChIKeyNAPGWNWMEDJYJP-UHFFFAOYSA-N
XLogP1.15
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxanthen-9-one?
The IUPAC name of 2,3-dihydroxanthen-9-one (CID 144768115) is 2,3-dihydroxanthen-9-one.
What is the SMILES notation for 2,3-dihydroxanthen-9-one?
The canonical SMILES for 2,3-dihydroxanthen-9-one is O=c1c2c(oc3ccccc13)=CCCC=2.
What is the InChIKey of 2,3-dihydroxanthen-9-one?
The InChIKey is NAPGWNWMEDJYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5-8H,2,4H2.
What are the key properties of 2,3-dihydroxanthen-9-one?
2,3-dihydroxanthen-9-one has a molecular weight of 198.22 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxanthen-9-one is sourced from PubChem (CID 144768115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).