triphenylene-2,6,10-triol

C18H12O3 — CID 19043276

IUPACtriphenylene-2,6,10-triol
SMILESOc1ccc2c(c1)c1ccc(O)cc1c1ccc(O)cc21
InChIInChI=1S/C18H12O3/c19-10-1-4-13-16(7-10)14-5-2-12(21)9-18(14)15-6-3-11(20)8-17(13)15/h1-9,19-21H
InChIKeyOKPJKQAKRSNJDV-UHFFFAOYSA-N
MW276.29 g/mol
LogP4.26
Rot. Bonds

About triphenylene-2,6,10-triol

triphenylene-2,6,10-triol (PubChem CID 19043276) has the molecular formula C18H12O3 and a molecular weight of 276.29 g/mol. Its IUPAC name is triphenylene-2,6,10-triol.

Molecular Properties

Compound Nametriphenylene-2,6,10-triol
PubChem CID19043276
Molecular FormulaC18H12O3
Molecular Weight276.29 g/mol
Exact Mass276.08
IUPAC Nametriphenylene-2,6,10-triol
SMILESOc1ccc2c(c1)c1ccc(O)cc1c1ccc(O)cc21
InChIInChI=1S/C18H12O3/c19-10-1-4-13-16(7-10)14-5-2-12(21)9-18(14)15-6-3-11(20)8-17(13)15/h1-9,19-21H
InChIKeyOKPJKQAKRSNJDV-UHFFFAOYSA-N
XLogP4.26
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triphenylene-2,6,10-triol?
The IUPAC name of triphenylene-2,6,10-triol (CID 19043276) is triphenylene-2,6,10-triol.
What is the SMILES notation for triphenylene-2,6,10-triol?
The canonical SMILES for triphenylene-2,6,10-triol is Oc1ccc2c(c1)c1ccc(O)cc1c1ccc(O)cc21.
What is the InChIKey of triphenylene-2,6,10-triol?
The InChIKey is OKPJKQAKRSNJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O3/c19-10-1-4-13-16(7-10)14-5-2-12(21)9-18(14)15-6-3-11(20)8-17(13)15/h1-9,19-21H.
What are the key properties of triphenylene-2,6,10-triol?
triphenylene-2,6,10-triol has a molecular weight of 276.29 g/mol, XLogP of 4.26, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylene-2,6,10-triol is sourced from PubChem (CID 19043276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).