4-[2-(2-methoxyphenyl)butyl]-2H-triazole

C13H17N3O — CID 112718175

IUPAC4-[2-(2-methoxyphenyl)butyl]-2H-triazole
SMILESCCC(Cc1cn[nH]n1)c1ccccc1OC
InChIInChI=1S/C13H17N3O/c1-3-10(8-11-9-14-16-15-11)12-6-4-5-7-13(12)17-2/h4-7,9-10H,3,8H2,1-2H3,(H,14,15,16)
InChIKeyYVVXUCIYUBQALM-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.55
Rot. Bonds5

About 4-[2-(2-methoxyphenyl)butyl]-2H-triazole

4-[2-(2-methoxyphenyl)butyl]-2H-triazole (PubChem CID 112718175) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[2-(2-methoxyphenyl)butyl]-2H-triazole.

Molecular Properties

Compound Name4-[2-(2-methoxyphenyl)butyl]-2H-triazole
PubChem CID112718175
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-[2-(2-methoxyphenyl)butyl]-2H-triazole
SMILESCCC(Cc1cn[nH]n1)c1ccccc1OC
InChIInChI=1S/C13H17N3O/c1-3-10(8-11-9-14-16-15-11)12-6-4-5-7-13(12)17-2/h4-7,9-10H,3,8H2,1-2H3,(H,14,15,16)
InChIKeyYVVXUCIYUBQALM-UHFFFAOYSA-N
XLogP2.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-methoxy-2,5-dimethylphenyl)butyl]-2H-triazole
CID 112717954
4-[2-(5-fluoro-2-methoxyphenyl)propyl]-2H-triazole
CID 112719715
4-[2-(4-ethoxy-3-methoxyphenyl)propyl]-2H-triazole
CID 112719219
1-(2-phenoxyphenyl)-2-(2H-triazol-4-yl)ethanol
CID 118914042
1-hex-5-en-3-yl-2-methoxybenzene
CID 83929060
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
4-[2-(4-propan-2-ylsulfonylphenyl)butyl]-2H-triazole
CID 112717752
2-(2-methoxyphenyl)butyl methanesulfonate
CID 121339648
N-[1-(2-methoxyphenyl)ethyl]-2H-triazole-4-carboxamide
CID 47334802
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
3-(2-methoxyphenyl)pentane-1,5-diol
CID 51050570
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyphenyl)butyl]-2H-triazole?
The IUPAC name of 4-[2-(2-methoxyphenyl)butyl]-2H-triazole (CID 112718175) is 4-[2-(2-methoxyphenyl)butyl]-2H-triazole.
What is the SMILES notation for 4-[2-(2-methoxyphenyl)butyl]-2H-triazole?
The canonical SMILES for 4-[2-(2-methoxyphenyl)butyl]-2H-triazole is CCC(Cc1cn[nH]n1)c1ccccc1OC.
What is the InChIKey of 4-[2-(2-methoxyphenyl)butyl]-2H-triazole?
The InChIKey is YVVXUCIYUBQALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-10(8-11-9-14-16-15-11)12-6-4-5-7-13(12)17-2/h4-7,9-10H,3,8H2,1-2H3,(H,14,15,16).
What are the key properties of 4-[2-(2-methoxyphenyl)butyl]-2H-triazole?
4-[2-(2-methoxyphenyl)butyl]-2H-triazole has a molecular weight of 231.30 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyphenyl)butyl]-2H-triazole is sourced from PubChem (CID 112718175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).