1-(2,4-dichlorophenyl)-2-(2,3-dimethylphenoxy)-2-(1,2,4-triazol-1-yl)ethanone

C18H15Cl2N3O2 — CID 20574483

IUPAC1-(2,4-dichlorophenyl)-2-(2,3-dimethylphenoxy)-2-(1,2,4-triazol-1-yl)ethanone
SMILESCc1cccc(OC(C(=O)c2ccc(Cl)cc2Cl)n2cncn2)c1C
InChIInChI=1S/C18H15Cl2N3O2/c1-11-4-3-5-16(12(11)2)25-18(23-10-21-9-22-23)17(24)14-7-6-13(19)8-15(14)20/h3-10,18H,1-2H3
InChIKeyYOKWVKGFGHPPTQ-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.66
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-2-(2,3-dimethylphenoxy)-2-(1,2,4-triazol-1-yl)ethanone

1-(2,4-dichlorophenyl)-2-(2,3-dimethylphenoxy)-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 20574483) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(2,3-dimethylphenoxy)-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(2,3-dimethylphenoxy)-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID20574483
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC Name1-(2,4-dichlorophenyl)-2-(2,3-dimethylphenoxy)-2-(1,2,4-triazol-1-yl)ethanone
SMILESCc1cccc(OC(C(=O)c2ccc(Cl)cc2Cl)n2cncn2)c1C
InChIInChI=1S/C18H15Cl2N3O2/c1-11-4-3-5-16(12(11)2)25-18(23-10-21-9-22-23)17(24)14-7-6-13(19)8-15(14)20/h3-10,18H,1-2H3
InChIKeyYOKWVKGFGHPPTQ-UHFFFAOYSA-N
XLogP4.66
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenoxy)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)pentane-1,3-dione
CID 23625915
1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenoxy)-2-imidazol-1-ylethanone
CID 154393473
1-(2,4-dichlorophenyl)-2-(2-fluoro-3-methylphenoxy)propan-1-one
CID 107659489
[2,2,2-tribromo-1-(1,2,4-triazol-1-yl)ethyl] 2,4-dichlorobenzoate
CID 56692672
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 8794626
1-(4-chlorophenoxy)-4-(2,4-dichlorophenyl)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one
CID 13322931
2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 42996241
3-(2,4-dichlorophenyl)-3-hydroxy-3-phenyl-2-(1,2,4-triazol-1-yl)propanoic acid
CID 56984517
1-(2,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)propan-1-one
CID 60871958
[1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethenyl] acetate
CID 139894512
N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-(1,2,4-triazol-1-yl)benzohydrazide
CID 51192314
2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63565663

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(2,3-dimethylphenoxy)-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(2,3-dimethylphenoxy)-2-(1,2,4-triazol-1-yl)ethanone (CID 20574483) is 1-(2,4-dichlorophenyl)-2-(2,3-dimethylphenoxy)-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(2,3-dimethylphenoxy)-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(2,3-dimethylphenoxy)-2-(1,2,4-triazol-1-yl)ethanone is Cc1cccc(OC(C(=O)c2ccc(Cl)cc2Cl)n2cncn2)c1C.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(2,3-dimethylphenoxy)-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is YOKWVKGFGHPPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c1-11-4-3-5-16(12(11)2)25-18(23-10-21-9-22-23)17(24)14-7-6-13(19)8-15(14)20/h3-10,18H,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(2,3-dimethylphenoxy)-2-(1,2,4-triazol-1-yl)ethanone?
1-(2,4-dichlorophenyl)-2-(2,3-dimethylphenoxy)-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 376.24 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(2,3-dimethylphenoxy)-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 20574483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).