[4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]phenyl]-phenylmethanone

C23H19N3O2 — CID 24793586

IUPAC[4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]phenyl]-phenylmethanone
SMILESCOc1ccc(-c2cn(Cc3ccc(C(=O)c4ccccc4)cc3)nn2)cc1
InChIInChI=1S/C23H19N3O2/c1-28-21-13-11-18(12-14-21)22-16-26(25-24-22)15-17-7-9-20(10-8-17)23(27)19-5-3-2-4-6-19/h2-14,16H,15H2,1H3
InChIKeyAAOSJNMHZUZHBB-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.23
Rot. Bonds6

About [4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]phenyl]-phenylmethanone

[4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]phenyl]-phenylmethanone (PubChem CID 24793586) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is [4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]phenyl]-phenylmethanone
PubChem CID24793586
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name[4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]phenyl]-phenylmethanone
SMILESCOc1ccc(-c2cn(Cc3ccc(C(=O)c4ccccc4)cc3)nn2)cc1
InChIInChI=1S/C23H19N3O2/c1-28-21-13-11-18(12-14-21)22-16-26(25-24-22)15-17-7-9-20(10-8-17)23(27)19-5-3-2-4-6-19/h2-14,16H,15H2,1H3
InChIKeyAAOSJNMHZUZHBB-UHFFFAOYSA-N
XLogP4.23
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]phenyl]-phenylmethanone?
The IUPAC name of [4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]phenyl]-phenylmethanone (CID 24793586) is [4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]phenyl]-phenylmethanone is COc1ccc(-c2cn(Cc3ccc(C(=O)c4ccccc4)cc3)nn2)cc1.
What is the InChIKey of [4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]phenyl]-phenylmethanone?
The InChIKey is AAOSJNMHZUZHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-28-21-13-11-18(12-14-21)22-16-26(25-24-22)15-17-7-9-20(10-8-17)23(27)19-5-3-2-4-6-19/h2-14,16H,15H2,1H3.
What are the key properties of [4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]phenyl]-phenylmethanone?
[4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]phenyl]-phenylmethanone has a molecular weight of 369.42 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]phenyl]-phenylmethanone is sourced from PubChem (CID 24793586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).