1-[2-(4-chlorophenyl)-2-phenylmethoxyethyl]-4-phenyltriazole

C23H20ClN3O — CID 156580037

IUPAC1-[2-(4-chlorophenyl)-2-phenylmethoxyethyl]-4-phenyltriazole
SMILESClc1ccc(C(Cn2cc(-c3ccccc3)nn2)OCc2ccccc2)cc1
InChIInChI=1S/C23H20ClN3O/c24-21-13-11-20(12-14-21)23(28-17-18-7-3-1-4-8-18)16-27-15-22(25-26-27)19-9-5-2-6-10-19/h1-15,23H,16-17H2
InChIKeyLSZWOKUDGFOASO-UHFFFAOYSA-N
MW389.89 g/mol
LogP5.56
Rot. Bonds7

About 1-[2-(4-chlorophenyl)-2-phenylmethoxyethyl]-4-phenyltriazole

1-[2-(4-chlorophenyl)-2-phenylmethoxyethyl]-4-phenyltriazole (PubChem CID 156580037) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-phenylmethoxyethyl]-4-phenyltriazole.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-phenylmethoxyethyl]-4-phenyltriazole
PubChem CID156580037
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC Name1-[2-(4-chlorophenyl)-2-phenylmethoxyethyl]-4-phenyltriazole
SMILESClc1ccc(C(Cn2cc(-c3ccccc3)nn2)OCc2ccccc2)cc1
InChIInChI=1S/C23H20ClN3O/c24-21-13-11-20(12-14-21)23(28-17-18-7-3-1-4-8-18)16-27-15-22(25-26-27)19-9-5-2-6-10-19/h1-15,23H,16-17H2
InChIKeyLSZWOKUDGFOASO-UHFFFAOYSA-N
XLogP5.56
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.89
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-phenylmethoxyethyl]-4-phenyltriazole?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-phenylmethoxyethyl]-4-phenyltriazole (CID 156580037) is 1-[2-(4-chlorophenyl)-2-phenylmethoxyethyl]-4-phenyltriazole.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-phenylmethoxyethyl]-4-phenyltriazole?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-phenylmethoxyethyl]-4-phenyltriazole is Clc1ccc(C(Cn2cc(-c3ccccc3)nn2)OCc2ccccc2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-phenylmethoxyethyl]-4-phenyltriazole?
The InChIKey is LSZWOKUDGFOASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O/c24-21-13-11-20(12-14-21)23(28-17-18-7-3-1-4-8-18)16-27-15-22(25-26-27)19-9-5-2-6-10-19/h1-15,23H,16-17H2.
What are the key properties of 1-[2-(4-chlorophenyl)-2-phenylmethoxyethyl]-4-phenyltriazole?
1-[2-(4-chlorophenyl)-2-phenylmethoxyethyl]-4-phenyltriazole has a molecular weight of 389.89 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-phenylmethoxyethyl]-4-phenyltriazole is sourced from PubChem (CID 156580037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).