7-bromo-2-hydroxy-1,2,3,4-tetrahydroxanthen-9-one

C13H11BrO3 — CID 12952273

IUPAC7-bromo-2-hydroxy-1,2,3,4-tetrahydroxanthen-9-one
SMILESO=c1c2c(oc3ccc(Br)cc13)CCC(O)C2
InChIInChI=1S/C13H11BrO3/c14-7-1-3-11-9(5-7)13(16)10-6-8(15)2-4-12(10)17-11/h1,3,5,8,15H,2,4,6H2
InChIKeyDROUHTGBXFUQKP-UHFFFAOYSA-N
MW295.13 g/mol
LogP2.41
Rot. Bonds

About 7-bromo-2-hydroxy-1,2,3,4-tetrahydroxanthen-9-one

7-bromo-2-hydroxy-1,2,3,4-tetrahydroxanthen-9-one (PubChem CID 12952273) has the molecular formula C13H11BrO3 and a molecular weight of 295.13 g/mol. Its IUPAC name is 7-bromo-2-hydroxy-1,2,3,4-tetrahydroxanthen-9-one.

Molecular Properties

Compound Name7-bromo-2-hydroxy-1,2,3,4-tetrahydroxanthen-9-one
PubChem CID12952273
Molecular FormulaC13H11BrO3
Molecular Weight295.13 g/mol
Exact Mass293.99
IUPAC Name7-bromo-2-hydroxy-1,2,3,4-tetrahydroxanthen-9-one
SMILESO=c1c2c(oc3ccc(Br)cc13)CCC(O)C2
InChIInChI=1S/C13H11BrO3/c14-7-1-3-11-9(5-7)13(16)10-6-8(15)2-4-12(10)17-11/h1,3,5,8,15H,2,4,6H2
InChIKeyDROUHTGBXFUQKP-UHFFFAOYSA-N
XLogP2.41
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-hydroxy-1,2,3,4-tetrahydroxanthen-9-one?
The IUPAC name of 7-bromo-2-hydroxy-1,2,3,4-tetrahydroxanthen-9-one (CID 12952273) is 7-bromo-2-hydroxy-1,2,3,4-tetrahydroxanthen-9-one.
What is the SMILES notation for 7-bromo-2-hydroxy-1,2,3,4-tetrahydroxanthen-9-one?
The canonical SMILES for 7-bromo-2-hydroxy-1,2,3,4-tetrahydroxanthen-9-one is O=c1c2c(oc3ccc(Br)cc13)CCC(O)C2.
What is the InChIKey of 7-bromo-2-hydroxy-1,2,3,4-tetrahydroxanthen-9-one?
The InChIKey is DROUHTGBXFUQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO3/c14-7-1-3-11-9(5-7)13(16)10-6-8(15)2-4-12(10)17-11/h1,3,5,8,15H,2,4,6H2.
What are the key properties of 7-bromo-2-hydroxy-1,2,3,4-tetrahydroxanthen-9-one?
7-bromo-2-hydroxy-1,2,3,4-tetrahydroxanthen-9-one has a molecular weight of 295.13 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-hydroxy-1,2,3,4-tetrahydroxanthen-9-one is sourced from PubChem (CID 12952273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).