2,3-dihydro-1-benzofuran-7-yl-(1-methylimidazol-4-yl)methanol

C13H14N2O2 — CID 107978736

IUPAC2,3-dihydro-1-benzofuran-7-yl-(1-methylimidazol-4-yl)methanol
SMILESCn1cnc(C(O)c2cccc3c2OCC3)c1
InChIInChI=1S/C13H14N2O2/c1-15-7-11(14-8-15)12(16)10-4-2-3-9-5-6-17-13(9)10/h2-4,7-8,12,16H,5-6H2,1H3
InChIKeyLOXOXFPZSLGQMW-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.44
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-7-yl-(1-methylimidazol-4-yl)methanol

2,3-dihydro-1-benzofuran-7-yl-(1-methylimidazol-4-yl)methanol (PubChem CID 107978736) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl-(1-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl-(1-methylimidazol-4-yl)methanol
PubChem CID107978736
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2,3-dihydro-1-benzofuran-7-yl-(1-methylimidazol-4-yl)methanol
SMILESCn1cnc(C(O)c2cccc3c2OCC3)c1
InChIInChI=1S/C13H14N2O2/c1-15-7-11(14-8-15)12(16)10-4-2-3-9-5-6-17-13(9)10/h2-4,7-8,12,16H,5-6H2,1H3
InChIKeyLOXOXFPZSLGQMW-UHFFFAOYSA-N
XLogP1.44
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-tert-butyl-1,3-thiazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743750
1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 68614116
(2,3-dimethylphenyl)-(1-methylimidazol-4-yl)methanol
CID 107978292
(2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanol
CID 107978391
2,3-dihydro-1-benzofuran-7-yl-(1-propylpyrazol-4-yl)methanol
CID 103572734
2,3-dihydro-1-benzofuran-7-yl-(2-propylpyrazol-3-yl)methanol
CID 114743786
2,3-dihydro-1-benzofuran-7-yl-(2-iodophenyl)methanol
CID 115838946
(2-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743289
2,3-dihydro-1-benzofuran-7-yl-(3-methyl-4-pyridinyl)methanol
CID 114744728
3,4-dihydro-2H-chromen-8-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 114743713
2,3-dihydro-1-benzofuran-7-yl(naphthalen-1-yl)methanol
CID 114743291
2,3-dihydro-1-benzofuran-7-yl-(5-ethylfuran-2-yl)methanol
CID 114743365

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(1-methylimidazol-4-yl)methanol?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(1-methylimidazol-4-yl)methanol (CID 107978736) is 2,3-dihydro-1-benzofuran-7-yl-(1-methylimidazol-4-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl-(1-methylimidazol-4-yl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl-(1-methylimidazol-4-yl)methanol is Cn1cnc(C(O)c2cccc3c2OCC3)c1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl-(1-methylimidazol-4-yl)methanol?
The InChIKey is LOXOXFPZSLGQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-15-7-11(14-8-15)12(16)10-4-2-3-9-5-6-17-13(9)10/h2-4,7-8,12,16H,5-6H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl-(1-methylimidazol-4-yl)methanol?
2,3-dihydro-1-benzofuran-7-yl-(1-methylimidazol-4-yl)methanol has a molecular weight of 230.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-yl-(1-methylimidazol-4-yl)methanol is sourced from PubChem (CID 107978736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).