2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-4-fluorophenol

C15H11FN2O3 — CID 137011218

IUPAC2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-4-fluorophenol
SMILESOc1ccc(F)cc1-c1nc2cc3c(cc2[nH]1)OCCO3
InChIInChI=1S/C15H11FN2O3/c16-8-1-2-12(19)9(5-8)15-17-10-6-13-14(7-11(10)18-15)21-4-3-20-13/h1-2,5-7,19H,3-4H2,(H,17,18)
InChIKeyKCQOXBHUTTZCQH-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.85
Rot. Bonds1

About 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-4-fluorophenol

2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-4-fluorophenol (PubChem CID 137011218) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-4-fluorophenol.

Molecular Properties

Compound Name2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-4-fluorophenol
PubChem CID137011218
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-4-fluorophenol
SMILESOc1ccc(F)cc1-c1nc2cc3c(cc2[nH]1)OCCO3
InChIInChI=1S/C15H11FN2O3/c16-8-1-2-12(19)9(5-8)15-17-10-6-13-14(7-11(10)18-15)21-4-3-20-13/h1-2,5-7,19H,3-4H2,(H,17,18)
InChIKeyKCQOXBHUTTZCQH-UHFFFAOYSA-N
XLogP2.85
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-4-fluorophenol?
The IUPAC name of 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-4-fluorophenol (CID 137011218) is 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-4-fluorophenol.
What is the SMILES notation for 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-4-fluorophenol?
The canonical SMILES for 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-4-fluorophenol is Oc1ccc(F)cc1-c1nc2cc3c(cc2[nH]1)OCCO3.
What is the InChIKey of 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-4-fluorophenol?
The InChIKey is KCQOXBHUTTZCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c16-8-1-2-12(19)9(5-8)15-17-10-6-13-14(7-11(10)18-15)21-4-3-20-13/h1-2,5-7,19H,3-4H2,(H,17,18).
What are the key properties of 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-4-fluorophenol?
2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-4-fluorophenol has a molecular weight of 286.26 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-4-fluorophenol is sourced from PubChem (CID 137011218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).