4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-methoxyphenyl)triazole

C19H19N3O2 — CID 162656317

IUPAC4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-methoxyphenyl)triazole
SMILESCOc1ccccc1-n1cc(COc2ccc3c(c2)CCC3)nn1
InChIInChI=1S/C19H19N3O2/c1-23-19-8-3-2-7-18(19)22-12-16(20-21-22)13-24-17-10-9-14-5-4-6-15(14)11-17/h2-3,7-12H,4-6,13H2,1H3
InChIKeyQCQCRSDXJZTWDL-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.34
Rot. Bonds5

About 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-methoxyphenyl)triazole

4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-methoxyphenyl)triazole (PubChem CID 162656317) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-methoxyphenyl)triazole.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-methoxyphenyl)triazole
PubChem CID162656317
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-methoxyphenyl)triazole
SMILESCOc1ccccc1-n1cc(COc2ccc3c(c2)CCC3)nn1
InChIInChI=1S/C19H19N3O2/c1-23-19-8-3-2-7-18(19)22-12-16(20-21-22)13-24-17-10-9-14-5-4-6-15(14)11-17/h2-3,7-12H,4-6,13H2,1H3
InChIKeyQCQCRSDXJZTWDL-UHFFFAOYSA-N
XLogP3.34
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-methoxyphenyl)triazole?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-methoxyphenyl)triazole (CID 162656317) is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-methoxyphenyl)triazole.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-methoxyphenyl)triazole?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-methoxyphenyl)triazole is COc1ccccc1-n1cc(COc2ccc3c(c2)CCC3)nn1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-methoxyphenyl)triazole?
The InChIKey is QCQCRSDXJZTWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-23-19-8-3-2-7-18(19)22-12-16(20-21-22)13-24-17-10-9-14-5-4-6-15(14)11-17/h2-3,7-12H,4-6,13H2,1H3.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-methoxyphenyl)triazole?
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-methoxyphenyl)triazole has a molecular weight of 321.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-methoxyphenyl)triazole is sourced from PubChem (CID 162656317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).