1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol

C15H19N3O2 — CID 115813815

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
SMILESCC(C)n1ncnc1CC(O)c1ccc2c(c1)COC2
InChIInChI=1S/C15H19N3O2/c1-10(2)18-15(16-9-17-18)6-14(19)11-3-4-12-7-20-8-13(12)5-11/h3-5,9-10,14,19H,6-8H2,1-2H3
InChIKeyGENKCSSUAXDPOG-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.17
Rot. Bonds4

About 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol

1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol (PubChem CID 115813815) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
PubChem CID115813815
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
SMILESCC(C)n1ncnc1CC(O)c1ccc2c(c1)COC2
InChIInChI=1S/C15H19N3O2/c1-10(2)18-15(16-9-17-18)6-14(19)11-3-4-12-7-20-8-13(12)5-11/h3-5,9-10,14,19H,6-8H2,1-2H3
InChIKeyGENKCSSUAXDPOG-UHFFFAOYSA-N
XLogP2.17
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol with MolForge

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Related Compounds

1-(4-methylsulfanylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 115813779
1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbutan-1-ol
CID 63019372
2-(3,5-difluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 105412803
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanol
CID 115813812
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 105001978
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999613
1-(2-propan-2-yl-1,2,4-triazol-3-yl)butane-2,3-diol
CID 103452773
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methylphenyl)ethanol
CID 63021652
1-(2-bromo-5-fluorophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 115813911
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837988
1-(5-fluoro-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 79723844
1-(2-propan-2-yl-1,2,4-triazol-3-yl)hexane-2,3-diol
CID 103454995

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol (CID 115813815) is 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol is CC(C)n1ncnc1CC(O)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is GENKCSSUAXDPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(2)18-15(16-9-17-18)6-14(19)11-3-4-12-7-20-8-13(12)5-11/h3-5,9-10,14,19H,6-8H2,1-2H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 273.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 115813815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).