2-[1-(1,2-dihydrobenzo[e][1]benzofuran-2-ylmethyl)triazol-4-yl]ethanol

C17H17N3O2 — CID 44818588

IUPAC2-[1-(1,2-dihydrobenzo[e][1]benzofuran-2-ylmethyl)triazol-4-yl]ethanol
SMILESOCCc1cn(CC2Cc3c(ccc4ccccc34)O2)nn1
InChIInChI=1S/C17H17N3O2/c21-8-7-13-10-20(19-18-13)11-14-9-16-15-4-2-1-3-12(15)5-6-17(16)22-14/h1-6,10,14,21H,7-9,11H2
InChIKeyRDEXYLMKOBDZDV-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.97
Rot. Bonds4

About 2-[1-(1,2-dihydrobenzo[e][1]benzofuran-2-ylmethyl)triazol-4-yl]ethanol

2-[1-(1,2-dihydrobenzo[e][1]benzofuran-2-ylmethyl)triazol-4-yl]ethanol (PubChem CID 44818588) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[1-(1,2-dihydrobenzo[e][1]benzofuran-2-ylmethyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(1,2-dihydrobenzo[e][1]benzofuran-2-ylmethyl)triazol-4-yl]ethanol
PubChem CID44818588
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-[1-(1,2-dihydrobenzo[e][1]benzofuran-2-ylmethyl)triazol-4-yl]ethanol
SMILESOCCc1cn(CC2Cc3c(ccc4ccccc34)O2)nn1
InChIInChI=1S/C17H17N3O2/c21-8-7-13-10-20(19-18-13)11-14-9-16-15-4-2-1-3-12(15)5-6-17(16)22-14/h1-6,10,14,21H,7-9,11H2
InChIKeyRDEXYLMKOBDZDV-UHFFFAOYSA-N
XLogP1.97
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2-dihydrobenzo[e][1]benzofuran-2-ylmethyl)triazol-4-yl]ethanol?
The IUPAC name of 2-[1-(1,2-dihydrobenzo[e][1]benzofuran-2-ylmethyl)triazol-4-yl]ethanol (CID 44818588) is 2-[1-(1,2-dihydrobenzo[e][1]benzofuran-2-ylmethyl)triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(1,2-dihydrobenzo[e][1]benzofuran-2-ylmethyl)triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(1,2-dihydrobenzo[e][1]benzofuran-2-ylmethyl)triazol-4-yl]ethanol is OCCc1cn(CC2Cc3c(ccc4ccccc34)O2)nn1.
What is the InChIKey of 2-[1-(1,2-dihydrobenzo[e][1]benzofuran-2-ylmethyl)triazol-4-yl]ethanol?
The InChIKey is RDEXYLMKOBDZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-8-7-13-10-20(19-18-13)11-14-9-16-15-4-2-1-3-12(15)5-6-17(16)22-14/h1-6,10,14,21H,7-9,11H2.
What are the key properties of 2-[1-(1,2-dihydrobenzo[e][1]benzofuran-2-ylmethyl)triazol-4-yl]ethanol?
2-[1-(1,2-dihydrobenzo[e][1]benzofuran-2-ylmethyl)triazol-4-yl]ethanol has a molecular weight of 295.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2-dihydrobenzo[e][1]benzofuran-2-ylmethyl)triazol-4-yl]ethanol is sourced from PubChem (CID 44818588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).