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

C16H14N2O3 — CID 136751368

IUPAC4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylphenol
SMILESCc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)ccc1O
InChIInChI=1S/C16H14N2O3/c1-9-6-10(2-3-13(9)19)16-17-11-7-14-15(8-12(11)18-16)21-5-4-20-14/h2-3,6-8,19H,4-5H2,1H3,(H,17,18)
InChIKeyHZFYZHDMAJXNHI-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.02
Rot. Bonds1

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

4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylphenol (PubChem CID 136751368) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylphenol.

Molecular Properties

Compound Name4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylphenol
PubChem CID136751368
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylphenol
SMILESCc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)ccc1O
InChIInChI=1S/C16H14N2O3/c1-9-6-10(2-3-13(9)19)16-17-11-7-14-15(8-12(11)18-16)21-5-4-20-14/h2-3,6-8,19H,4-5H2,1H3,(H,17,18)
InChIKeyHZFYZHDMAJXNHI-UHFFFAOYSA-N
XLogP3.02
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol
CID 136751417
2-(2-methyl-4-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 106753298
2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-4-fluorophenol
CID 137011218
2-(4-fluorophenyl)-1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazole
CID 43168735
2-(3-bromo-5-methylphenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 115999480
2-pyrimidin-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 102922100
2-(6-methyl-2-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43349089
2-(2-methylfuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43349098
2-(1H-pyrazol-4-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 55180183
4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-2-methylphenol
CID 136751466
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylaniline
CID 62948735
2-(1,3-dimethylpyrazol-4-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 103849870

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylphenol?
The IUPAC name of 4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylphenol (CID 136751368) is 4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylphenol.
What is the SMILES notation for 4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylphenol?
The canonical SMILES for 4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylphenol is Cc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)ccc1O.
What is the InChIKey of 4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylphenol?
The InChIKey is HZFYZHDMAJXNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-9-6-10(2-3-13(9)19)16-17-11-7-14-15(8-12(11)18-16)21-5-4-20-14/h2-3,6-8,19H,4-5H2,1H3,(H,17,18).
What are the key properties of 4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylphenol?
4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylphenol has a molecular weight of 282.30 g/mol, XLogP of 3.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylphenol is sourced from PubChem (CID 136751368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).