1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]oxetan-2-yl]methyl]-1,2,4-triazole

C18H15Cl2N3O2 — CID 75201575

IUPAC1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]oxetan-2-yl]methyl]-1,2,4-triazole
SMILESClc1ccc(Oc2ccc(C3(Cn4cncn4)CCO3)c(Cl)c2)cc1
InChIInChI=1S/C18H15Cl2N3O2/c19-13-1-3-14(4-2-13)25-15-5-6-16(17(20)9-15)18(7-8-24-18)10-23-12-21-11-22-23/h1-6,9,11-12H,7-8,10H2
InChIKeyDNPMICALURDYDP-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.69
Rot. Bonds5

About 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]oxetan-2-yl]methyl]-1,2,4-triazole

1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]oxetan-2-yl]methyl]-1,2,4-triazole (PubChem CID 75201575) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]oxetan-2-yl]methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]oxetan-2-yl]methyl]-1,2,4-triazole
PubChem CID75201575
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC Name1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]oxetan-2-yl]methyl]-1,2,4-triazole
SMILESClc1ccc(Oc2ccc(C3(Cn4cncn4)CCO3)c(Cl)c2)cc1
InChIInChI=1S/C18H15Cl2N3O2/c19-13-1-3-14(4-2-13)25-15-5-6-16(17(20)9-15)18(7-8-24-18)10-23-12-21-11-22-23/h1-6,9,11-12H,7-8,10H2
InChIKeyDNPMICALURDYDP-UHFFFAOYSA-N
XLogP4.69
TPSA49.17 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 ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(2R,4S)-2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
CID 174889200
carbonic acid;1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
CID 121295152
1-[[2-[2-chloro-4-(4-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
CID 167030933
1-[[2-[2-chloro-4-(2,5-difluorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
CID 66975113
1-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 175114799
1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole;sulfuric acid
CID 70607270
1-[[2-(4-chlorophenyl)-4,4-dimethyloxolan-2-yl]methyl]-1,2,4-triazole
CID 13235855
1-[2-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]ethyl]-1,2,4-triazole
CID 70424591
1-[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-methylbutyl]-1,2,4-triazole
CID 141401104
1-[[2-(2,4-difluorophenyl)oxan-2-yl]methyl]-1,2,4-triazole
CID 172701548
1-[(2S)-2-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-methoxypropyl]-1,2,4-triazole
CID 90240272
2-[2-chloro-4-(4-chlorophenoxy)phenyl]-1-(1,2,4-triazol-1-yl)hexan-2-ol
CID 71258978

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]oxetan-2-yl]methyl]-1,2,4-triazole?
The IUPAC name of 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]oxetan-2-yl]methyl]-1,2,4-triazole (CID 75201575) is 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]oxetan-2-yl]methyl]-1,2,4-triazole.
What is the SMILES notation for 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]oxetan-2-yl]methyl]-1,2,4-triazole?
The canonical SMILES for 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]oxetan-2-yl]methyl]-1,2,4-triazole is Clc1ccc(Oc2ccc(C3(Cn4cncn4)CCO3)c(Cl)c2)cc1.
What is the InChIKey of 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]oxetan-2-yl]methyl]-1,2,4-triazole?
The InChIKey is DNPMICALURDYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c19-13-1-3-14(4-2-13)25-15-5-6-16(17(20)9-15)18(7-8-24-18)10-23-12-21-11-22-23/h1-6,9,11-12H,7-8,10H2.
What are the key properties of 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]oxetan-2-yl]methyl]-1,2,4-triazole?
1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]oxetan-2-yl]methyl]-1,2,4-triazole has a molecular weight of 376.24 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]oxetan-2-yl]methyl]-1,2,4-triazole is sourced from PubChem (CID 75201575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).