4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2,4,6-trimethylphenyl)triazole

C21H23N3O — CID 162648464

IUPAC4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2,4,6-trimethylphenyl)triazole
SMILESCc1cc(C)c(-n2cc(COc3ccc4c(c3)CCC4)nn2)c(C)c1
InChIInChI=1S/C21H23N3O/c1-14-9-15(2)21(16(3)10-14)24-12-19(22-23-24)13-25-20-8-7-17-5-4-6-18(17)11-20/h7-12H,4-6,13H2,1-3H3
InChIKeyFPKJZODDXOQJKR-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.26
Rot. Bonds4

About 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2,4,6-trimethylphenyl)triazole

4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2,4,6-trimethylphenyl)triazole (PubChem CID 162648464) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2,4,6-trimethylphenyl)triazole.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2,4,6-trimethylphenyl)triazole
PubChem CID162648464
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2,4,6-trimethylphenyl)triazole
SMILESCc1cc(C)c(-n2cc(COc3ccc4c(c3)CCC4)nn2)c(C)c1
InChIInChI=1S/C21H23N3O/c1-14-9-15(2)21(16(3)10-14)24-12-19(22-23-24)13-25-20-8-7-17-5-4-6-18(17)11-20/h7-12H,4-6,13H2,1-3H3
InChIKeyFPKJZODDXOQJKR-UHFFFAOYSA-N
XLogP4.26
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2,4,6-trimethylphenyl)triazole?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2,4,6-trimethylphenyl)triazole (CID 162648464) is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2,4,6-trimethylphenyl)triazole.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2,4,6-trimethylphenyl)triazole?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2,4,6-trimethylphenyl)triazole is Cc1cc(C)c(-n2cc(COc3ccc4c(c3)CCC4)nn2)c(C)c1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2,4,6-trimethylphenyl)triazole?
The InChIKey is FPKJZODDXOQJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-14-9-15(2)21(16(3)10-14)24-12-19(22-23-24)13-25-20-8-7-17-5-4-6-18(17)11-20/h7-12H,4-6,13H2,1-3H3.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2,4,6-trimethylphenyl)triazole?
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2,4,6-trimethylphenyl)triazole has a molecular weight of 333.44 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2,4,6-trimethylphenyl)triazole is sourced from PubChem (CID 162648464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).