2,3,4-trihydroxy-6-propan-2-yl-10H-acridin-9-one

C16H15NO4 — CID 85468772

IUPAC2,3,4-trihydroxy-6-propan-2-yl-10H-acridin-9-one
SMILESCC(C)c1ccc2c(=O)c3cc(O)c(O)c(O)c3[nH]c2c1
InChIInChI=1S/C16H15NO4/c1-7(2)8-3-4-9-11(5-8)17-13-10(14(9)19)6-12(18)15(20)16(13)21/h3-7,18,20-21H,1-2H3,(H,17,19)
InChIKeyJNODMEPGSXGXBX-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.92
Rot. Bonds1

About 2,3,4-trihydroxy-6-propan-2-yl-10H-acridin-9-one

2,3,4-trihydroxy-6-propan-2-yl-10H-acridin-9-one (PubChem CID 85468772) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2,3,4-trihydroxy-6-propan-2-yl-10H-acridin-9-one.

Molecular Properties

Compound Name2,3,4-trihydroxy-6-propan-2-yl-10H-acridin-9-one
PubChem CID85468772
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2,3,4-trihydroxy-6-propan-2-yl-10H-acridin-9-one
SMILESCC(C)c1ccc2c(=O)c3cc(O)c(O)c(O)c3[nH]c2c1
InChIInChI=1S/C16H15NO4/c1-7(2)8-3-4-9-11(5-8)17-13-10(14(9)19)6-12(18)15(20)16(13)21/h3-7,18,20-21H,1-2H3,(H,17,19)
InChIKeyJNODMEPGSXGXBX-UHFFFAOYSA-N
XLogP2.92
TPSA93.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trihydroxy-6-propan-2-yl-10H-acridin-9-one?
The IUPAC name of 2,3,4-trihydroxy-6-propan-2-yl-10H-acridin-9-one (CID 85468772) is 2,3,4-trihydroxy-6-propan-2-yl-10H-acridin-9-one.
What is the SMILES notation for 2,3,4-trihydroxy-6-propan-2-yl-10H-acridin-9-one?
The canonical SMILES for 2,3,4-trihydroxy-6-propan-2-yl-10H-acridin-9-one is CC(C)c1ccc2c(=O)c3cc(O)c(O)c(O)c3[nH]c2c1.
What is the InChIKey of 2,3,4-trihydroxy-6-propan-2-yl-10H-acridin-9-one?
The InChIKey is JNODMEPGSXGXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-7(2)8-3-4-9-11(5-8)17-13-10(14(9)19)6-12(18)15(20)16(13)21/h3-7,18,20-21H,1-2H3,(H,17,19).
What are the key properties of 2,3,4-trihydroxy-6-propan-2-yl-10H-acridin-9-one?
2,3,4-trihydroxy-6-propan-2-yl-10H-acridin-9-one has a molecular weight of 285.30 g/mol, XLogP of 2.92, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trihydroxy-6-propan-2-yl-10H-acridin-9-one is sourced from PubChem (CID 85468772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).