4,9-dihydroxanthen-3-one

C13H10O2 — CID 57451334

IUPAC4,9-dihydroxanthen-3-one
SMILESO=C1C=CC2=C(C1)Oc1ccccc1C2
InChIInChI=1S/C13H10O2/c14-11-6-5-10-7-9-3-1-2-4-12(9)15-13(10)8-11/h1-6H,7-8H2
InChIKeyVAOFWTJOTLRGBI-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.40
Rot. Bonds

About 4,9-dihydroxanthen-3-one

4,9-dihydroxanthen-3-one (PubChem CID 57451334) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4,9-dihydroxanthen-3-one.

Molecular Properties

Compound Name4,9-dihydroxanthen-3-one
PubChem CID57451334
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name4,9-dihydroxanthen-3-one
SMILESO=C1C=CC2=C(C1)Oc1ccccc1C2
InChIInChI=1S/C13H10O2/c14-11-6-5-10-7-9-3-1-2-4-12(9)15-13(10)8-11/h1-6H,7-8H2
InChIKeyVAOFWTJOTLRGBI-UHFFFAOYSA-N
XLogP2.40
TPSA26.30 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 ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,9-dihydroxanthen-3-one?
The IUPAC name of 4,9-dihydroxanthen-3-one (CID 57451334) is 4,9-dihydroxanthen-3-one.
What is the SMILES notation for 4,9-dihydroxanthen-3-one?
The canonical SMILES for 4,9-dihydroxanthen-3-one is O=C1C=CC2=C(C1)Oc1ccccc1C2.
What is the InChIKey of 4,9-dihydroxanthen-3-one?
The InChIKey is VAOFWTJOTLRGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c14-11-6-5-10-7-9-3-1-2-4-12(9)15-13(10)8-11/h1-6H,7-8H2.
What are the key properties of 4,9-dihydroxanthen-3-one?
4,9-dihydroxanthen-3-one has a molecular weight of 198.22 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dihydroxanthen-3-one is sourced from PubChem (CID 57451334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).