3,6-dihydroxy-10H-acridin-9-one

C13H9NO3 — CID 14086995

IUPAC3,6-dihydroxy-10H-acridin-9-one
SMILESO=c1c2ccc(O)cc2[nH]c2cc(O)ccc12
InChIInChI=1S/C13H9NO3/c15-7-1-3-9-11(5-7)14-12-6-8(16)2-4-10(12)13(9)17/h1-6,15-16H,(H,14,17)
InChIKeyPVRYFKGBOYVWMN-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.09
Rot. Bonds

About 3,6-dihydroxy-10H-acridin-9-one

3,6-dihydroxy-10H-acridin-9-one (PubChem CID 14086995) has the molecular formula C13H9NO3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3,6-dihydroxy-10H-acridin-9-one.

Molecular Properties

Compound Name3,6-dihydroxy-10H-acridin-9-one
PubChem CID14086995
Molecular FormulaC13H9NO3
Molecular Weight227.22 g/mol
Exact Mass227.06
IUPAC Name3,6-dihydroxy-10H-acridin-9-one
SMILESO=c1c2ccc(O)cc2[nH]c2cc(O)ccc12
InChIInChI=1S/C13H9NO3/c15-7-1-3-9-11(5-7)14-12-6-8(16)2-4-10(12)13(9)17/h1-6,15-16H,(H,14,17)
InChIKeyPVRYFKGBOYVWMN-UHFFFAOYSA-N
XLogP2.09
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydroxy-10H-acridin-9-one?
The IUPAC name of 3,6-dihydroxy-10H-acridin-9-one (CID 14086995) is 3,6-dihydroxy-10H-acridin-9-one.
What is the SMILES notation for 3,6-dihydroxy-10H-acridin-9-one?
The canonical SMILES for 3,6-dihydroxy-10H-acridin-9-one is O=c1c2ccc(O)cc2[nH]c2cc(O)ccc12.
What is the InChIKey of 3,6-dihydroxy-10H-acridin-9-one?
The InChIKey is PVRYFKGBOYVWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3/c15-7-1-3-9-11(5-7)14-12-6-8(16)2-4-10(12)13(9)17/h1-6,15-16H,(H,14,17).
What are the key properties of 3,6-dihydroxy-10H-acridin-9-one?
3,6-dihydroxy-10H-acridin-9-one has a molecular weight of 227.22 g/mol, XLogP of 2.09, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydroxy-10H-acridin-9-one is sourced from PubChem (CID 14086995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).