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

C18H16BrN3O — CID 162658624

IUPAC1-(3-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole
SMILESBrc1cccc(-n2cc(COc3ccc4c(c3)CCC4)nn2)c1
InChIInChI=1S/C18H16BrN3O/c19-15-5-2-6-17(10-15)22-11-16(20-21-22)12-23-18-8-7-13-3-1-4-14(13)9-18/h2,5-11H,1,3-4,12H2
InChIKeyLERNDBIWMNAIHK-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.10
Rot. Bonds4

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

1-(3-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole (PubChem CID 162658624) has the molecular formula C18H16BrN3O and a molecular weight of 370.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole
PubChem CID162658624
Molecular FormulaC18H16BrN3O
Molecular Weight370.25 g/mol
Exact Mass369.05
IUPAC Name1-(3-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole
SMILESBrc1cccc(-n2cc(COc3ccc4c(c3)CCC4)nn2)c1
InChIInChI=1S/C18H16BrN3O/c19-15-5-2-6-17(10-15)22-11-16(20-21-22)12-23-18-8-7-13-3-1-4-14(13)9-18/h2,5-11H,1,3-4,12H2
InChIKeyLERNDBIWMNAIHK-UHFFFAOYSA-N
XLogP4.10
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2,4,6-trimethylphenyl)triazole
CID 162648464
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2,4-dimethylphenyl)triazole
CID 162649823
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-fluorophenyl)triazole
CID 162657527
1-(2-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole
CID 162662280
2-[[1-(4-Bromophenyl)triazol-4-yl]methoxy]-5-prop-2-enylphenol
CID 118731835
1-Benzyl-4-((naphthalen-2-yloxy)methyl)-1h-1,2,3-triazole
CID 134133360
4-[(6-Bromonaphthalen-2-yl)oxymethyl]-1-propyltriazole
CID 134136326
1-Benzyl-4-[(6-bromonaphthalen-2-yl)oxymethyl]triazole
CID 134141639
4-[(6-Bromonaphthalen-2-yl)oxymethyl]-1-pentyltriazole
CID 134147627
4-[(6-Bromonaphthalen-2-yl)oxymethyl]-1-cyclopentyltriazole
CID 134149080
4-[(6-Bromonaphthalen-2-yl)oxymethyl]-1-prop-2-enyltriazole
CID 134151948
1-(4-Bromophenyl)-4-[(4-phenylphenoxy)methyl]triazole
CID 137641871

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole?
The IUPAC name of 1-(3-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole (CID 162658624) is 1-(3-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole.
What is the SMILES notation for 1-(3-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole?
The canonical SMILES for 1-(3-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole is Brc1cccc(-n2cc(COc3ccc4c(c3)CCC4)nn2)c1.
What is the InChIKey of 1-(3-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole?
The InChIKey is LERNDBIWMNAIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O/c19-15-5-2-6-17(10-15)22-11-16(20-21-22)12-23-18-8-7-13-3-1-4-14(13)9-18/h2,5-11H,1,3-4,12H2.
What are the key properties of 1-(3-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole?
1-(3-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole has a molecular weight of 370.25 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazole is sourced from PubChem (CID 162658624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).