3-hydroxy-4a,9a-dihydroxanthen-9-one

C13H10O3 — CID 50742130

IUPAC3-hydroxy-4a,9a-dihydroxanthen-9-one
SMILESO=C1c2ccccc2OC2C=C(O)C=CC12
InChIInChI=1S/C13H10O3/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h1-7,10,12,14H
InChIKeyWNKRTSKKTLXOMW-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.26
Rot. Bonds

About 3-hydroxy-4a,9a-dihydroxanthen-9-one

3-hydroxy-4a,9a-dihydroxanthen-9-one (PubChem CID 50742130) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-hydroxy-4a,9a-dihydroxanthen-9-one.

Molecular Properties

Compound Name3-hydroxy-4a,9a-dihydroxanthen-9-one
PubChem CID50742130
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Name3-hydroxy-4a,9a-dihydroxanthen-9-one
SMILESO=C1c2ccccc2OC2C=C(O)C=CC12
InChIInChI=1S/C13H10O3/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h1-7,10,12,14H
InChIKeyWNKRTSKKTLXOMW-UHFFFAOYSA-N
XLogP2.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-4a,9a-dihydroxanthen-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4a,10a-dihydrochromeno[3,2-c]pyridin-10-one
CID 67608313
2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]phenyl]-4a,9a-dihydroxanthen-9-one
CID 70937822
3',6'-dihydroxyspiro[2-benzofuran-3,9'-4a,9a-dihydroxanthene]-1-one
CID 21136555
(2R,3R)-2-hydroxy-3-methyl-2,3-dihydrochromen-4-one
CID 7177147
1,1-dideuterio-1a,7a-dihydrocyclopropa[b]chromen-7-one
CID 101320242
2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-4-one
CID 10777318
(4aR,9aS)-9,10-dioxo-4a,9a-dihydroanthracene-2-carboxylic acid
CID 7173899
2-bromo-4a,9a-dihydroanthracene-9,10-dione
CID 58831227
(2S,3R)-2,3-bis(hydroxymethyl)-2,3-dihydrochromen-4-one;ethane
CID 90988850
1,2,2a,8a-tetrahydrocyclobuta[b]chromen-8-one
CID 86154026
(2S,3R)-3-bromo-2-methyl-2,3-dihydrochromen-4-one
CID 15266075
3-(2-hydroxyacetyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 174476724

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4a,9a-dihydroxanthen-9-one?
The IUPAC name of 3-hydroxy-4a,9a-dihydroxanthen-9-one (CID 50742130) is 3-hydroxy-4a,9a-dihydroxanthen-9-one.
What is the SMILES notation for 3-hydroxy-4a,9a-dihydroxanthen-9-one?
The canonical SMILES for 3-hydroxy-4a,9a-dihydroxanthen-9-one is O=C1c2ccccc2OC2C=C(O)C=CC12.
What is the InChIKey of 3-hydroxy-4a,9a-dihydroxanthen-9-one?
The InChIKey is WNKRTSKKTLXOMW-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/h1-7,10,12,14H.
What are the key properties of 3-hydroxy-4a,9a-dihydroxanthen-9-one?
3-hydroxy-4a,9a-dihydroxanthen-9-one has a molecular weight of 214.22 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4a,9a-dihydroxanthen-9-one is sourced from PubChem (CID 50742130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).