1-[3-[(2-chlorophenyl)methoxy]-1,3-diphenylprop-1-en-2-yl]-1,2,4-triazole

C24H20ClN3O — CID 175065792

IUPAC1-[3-[(2-chlorophenyl)methoxy]-1,3-diphenylprop-1-en-2-yl]-1,2,4-triazole
SMILESClc1ccccc1COC(C(=Cc1ccccc1)n1cncn1)c1ccccc1
InChIInChI=1S/C24H20ClN3O/c25-22-14-8-7-13-21(22)16-29-24(20-11-5-2-6-12-20)23(28-18-26-17-27-28)15-19-9-3-1-4-10-19/h1-15,17-18,24H,16H2
InChIKeyABGOELSQMKKZGI-UHFFFAOYSA-N
MW401.90 g/mol
LogP5.89
Rot. Bonds7

About 1-[3-[(2-chlorophenyl)methoxy]-1,3-diphenylprop-1-en-2-yl]-1,2,4-triazole

1-[3-[(2-chlorophenyl)methoxy]-1,3-diphenylprop-1-en-2-yl]-1,2,4-triazole (PubChem CID 175065792) has the molecular formula C24H20ClN3O and a molecular weight of 401.90 g/mol. Its IUPAC name is 1-[3-[(2-chlorophenyl)methoxy]-1,3-diphenylprop-1-en-2-yl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[3-[(2-chlorophenyl)methoxy]-1,3-diphenylprop-1-en-2-yl]-1,2,4-triazole
PubChem CID175065792
Molecular FormulaC24H20ClN3O
Molecular Weight401.90 g/mol
Exact Mass401.13
IUPAC Name1-[3-[(2-chlorophenyl)methoxy]-1,3-diphenylprop-1-en-2-yl]-1,2,4-triazole
SMILESClc1ccccc1COC(C(=Cc1ccccc1)n1cncn1)c1ccccc1
InChIInChI=1S/C24H20ClN3O/c25-22-14-8-7-13-21(22)16-29-24(20-11-5-2-6-12-20)23(28-18-26-17-27-28)15-19-9-3-1-4-10-19/h1-15,17-18,24H,16H2
InChIKeyABGOELSQMKKZGI-UHFFFAOYSA-N
XLogP5.89
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.90
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-chlorophenyl)methoxy]-1,3-diphenylprop-1-en-2-yl]-1,2,4-triazole?
The IUPAC name of 1-[3-[(2-chlorophenyl)methoxy]-1,3-diphenylprop-1-en-2-yl]-1,2,4-triazole (CID 175065792) is 1-[3-[(2-chlorophenyl)methoxy]-1,3-diphenylprop-1-en-2-yl]-1,2,4-triazole.
What is the SMILES notation for 1-[3-[(2-chlorophenyl)methoxy]-1,3-diphenylprop-1-en-2-yl]-1,2,4-triazole?
The canonical SMILES for 1-[3-[(2-chlorophenyl)methoxy]-1,3-diphenylprop-1-en-2-yl]-1,2,4-triazole is Clc1ccccc1COC(C(=Cc1ccccc1)n1cncn1)c1ccccc1.
What is the InChIKey of 1-[3-[(2-chlorophenyl)methoxy]-1,3-diphenylprop-1-en-2-yl]-1,2,4-triazole?
The InChIKey is ABGOELSQMKKZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O/c25-22-14-8-7-13-21(22)16-29-24(20-11-5-2-6-12-20)23(28-18-26-17-27-28)15-19-9-3-1-4-10-19/h1-15,17-18,24H,16H2.
What are the key properties of 1-[3-[(2-chlorophenyl)methoxy]-1,3-diphenylprop-1-en-2-yl]-1,2,4-triazole?
1-[3-[(2-chlorophenyl)methoxy]-1,3-diphenylprop-1-en-2-yl]-1,2,4-triazole has a molecular weight of 401.90 g/mol, XLogP of 5.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-chlorophenyl)methoxy]-1,3-diphenylprop-1-en-2-yl]-1,2,4-triazole is sourced from PubChem (CID 175065792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).