5,6,7-trihydroxy-2H-triphenylen-1-one

C18H12O4 — CID 150651537

IUPAC5,6,7-trihydroxy-2H-triphenylen-1-one
SMILESO=C1CC=Cc2c1c1ccccc1c1cc(O)c(O)c(O)c21
InChIInChI=1S/C18H12O4/c19-13-7-3-6-11-15(13)10-5-2-1-4-9(10)12-8-14(20)17(21)18(22)16(11)12/h1-6,8,20-22H,7H2
InChIKeyJBYYCJGMMFGTNL-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.71
Rot. Bonds

About 5,6,7-trihydroxy-2H-triphenylen-1-one

5,6,7-trihydroxy-2H-triphenylen-1-one (PubChem CID 150651537) has the molecular formula C18H12O4 and a molecular weight of 292.29 g/mol. Its IUPAC name is 5,6,7-trihydroxy-2H-triphenylen-1-one.

Molecular Properties

Compound Name5,6,7-trihydroxy-2H-triphenylen-1-one
PubChem CID150651537
Molecular FormulaC18H12O4
Molecular Weight292.29 g/mol
Exact Mass292.07
IUPAC Name5,6,7-trihydroxy-2H-triphenylen-1-one
SMILESO=C1CC=Cc2c1c1ccccc1c1cc(O)c(O)c(O)c21
InChIInChI=1S/C18H12O4/c19-13-7-3-6-11-15(13)10-5-2-1-4-9(10)12-8-14(20)17(21)18(22)16(11)12/h1-6,8,20-22H,7H2
InChIKeyJBYYCJGMMFGTNL-UHFFFAOYSA-N
XLogP3.71
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.71
H-Bond Donors ≤ 53
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_3', 'substructure': 'N/A'}

Analyze 5,6,7-trihydroxy-2H-triphenylen-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trihydroxy-2H-triphenylen-1-one?
The IUPAC name of 5,6,7-trihydroxy-2H-triphenylen-1-one (CID 150651537) is 5,6,7-trihydroxy-2H-triphenylen-1-one.
What is the SMILES notation for 5,6,7-trihydroxy-2H-triphenylen-1-one?
The canonical SMILES for 5,6,7-trihydroxy-2H-triphenylen-1-one is O=C1CC=Cc2c1c1ccccc1c1cc(O)c(O)c(O)c21.
What is the InChIKey of 5,6,7-trihydroxy-2H-triphenylen-1-one?
The InChIKey is JBYYCJGMMFGTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O4/c19-13-7-3-6-11-15(13)10-5-2-1-4-9(10)12-8-14(20)17(21)18(22)16(11)12/h1-6,8,20-22H,7H2.
What are the key properties of 5,6,7-trihydroxy-2H-triphenylen-1-one?
5,6,7-trihydroxy-2H-triphenylen-1-one has a molecular weight of 292.29 g/mol, XLogP of 3.71, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trihydroxy-2H-triphenylen-1-one is sourced from PubChem (CID 150651537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).