4-(4-methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole

C19H21N3O2 — CID 24793538

IUPAC4-(4-methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole
SMILESCOc1ccc(-c2cn(CCCOCc3ccccc3)nn2)cc1
InChIInChI=1S/C19H21N3O2/c1-23-18-10-8-17(9-11-18)19-14-22(21-20-19)12-5-13-24-15-16-6-3-2-4-7-16/h2-4,6-11,14H,5,12-13,15H2,1H3
InChIKeyWQMOMLKEXIKSMR-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.56
Rot. Bonds8

About 4-(4-methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole

4-(4-methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole (PubChem CID 24793538) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole
PubChem CID24793538
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-(4-methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole
SMILESCOc1ccc(-c2cn(CCCOCc3ccccc3)nn2)cc1
InChIInChI=1S/C19H21N3O2/c1-23-18-10-8-17(9-11-18)19-14-22(21-20-19)12-5-13-24-15-16-6-3-2-4-7-16/h2-4,6-11,14H,5,12-13,15H2,1H3
InChIKeyWQMOMLKEXIKSMR-UHFFFAOYSA-N
XLogP3.56
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole?
The IUPAC name of 4-(4-methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole (CID 24793538) is 4-(4-methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole?
The canonical SMILES for 4-(4-methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole is COc1ccc(-c2cn(CCCOCc3ccccc3)nn2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole?
The InChIKey is WQMOMLKEXIKSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-23-18-10-8-17(9-11-18)19-14-22(21-20-19)12-5-13-24-15-16-6-3-2-4-7-16/h2-4,6-11,14H,5,12-13,15H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole?
4-(4-methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole has a molecular weight of 323.40 g/mol, XLogP of 3.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole is sourced from PubChem (CID 24793538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).