1-[2-(3-chloro-4-fluorophenoxy)phenyl]-5-phenyltriazole

C20H13ClFN3O — CID 86345994

IUPAC1-[2-(3-chloro-4-fluorophenoxy)phenyl]-5-phenyltriazole
SMILESFc1ccc(Oc2ccccc2-n2nncc2-c2ccccc2)cc1Cl
InChIInChI=1S/C20H13ClFN3O/c21-16-12-15(10-11-17(16)22)26-20-9-5-4-8-18(20)25-19(13-23-24-25)14-6-2-1-3-7-14/h1-13H
InChIKeySTQMRXUCVXVKMW-UHFFFAOYSA-N
MW365.80 g/mol
LogP5.52
Rot. Bonds4

About 1-[2-(3-chloro-4-fluorophenoxy)phenyl]-5-phenyltriazole

1-[2-(3-chloro-4-fluorophenoxy)phenyl]-5-phenyltriazole (PubChem CID 86345994) has the molecular formula C20H13ClFN3O and a molecular weight of 365.80 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-fluorophenoxy)phenyl]-5-phenyltriazole.

Molecular Properties

Compound Name1-[2-(3-chloro-4-fluorophenoxy)phenyl]-5-phenyltriazole
PubChem CID86345994
Molecular FormulaC20H13ClFN3O
Molecular Weight365.80 g/mol
Exact Mass365.07
IUPAC Name1-[2-(3-chloro-4-fluorophenoxy)phenyl]-5-phenyltriazole
SMILESFc1ccc(Oc2ccccc2-n2nncc2-c2ccccc2)cc1Cl
InChIInChI=1S/C20H13ClFN3O/c21-16-12-15(10-11-17(16)22)26-20-9-5-4-8-18(20)25-19(13-23-24-25)14-6-2-1-3-7-14/h1-13H
InChIKeySTQMRXUCVXVKMW-UHFFFAOYSA-N
XLogP5.52
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.80
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-chloro-4-fluorophenoxy)phenyl]-5-phenyltriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-Chloro-4-fluorophenyl)-4-[(4-phenylphenoxy)methyl]triazole
CID 137646605
1-(4-Chlorophenyl)-4-[(4-phenylphenoxy)methyl]triazole
CID 137659872
4-Methyl-1-(2-phenylmethoxyphenyl)triazole
CID 164608893
4-(4-Fluorophenyl)-1-(3-fluoro-4-phenylmethoxyphenyl)triazole
CID 172434143
1-[2-(2,4-Dichlorophenoxy)phenyl]-5-methyl-4-phenyltriazole
CID 2805131
1-[4-[5-(3-Fluorophenyl)triazol-1-yl]butyl]-4-(2-methoxyphenyl)piperazine
CID 72195371
1-(2-Methoxyphenyl)-4-phenyl-1H-1,2,3-triazole
CID 16664254
1-(4-Phenoxy-phenyl)-4-phenyl-1h-1,2,3-triazole
CID 102489382
{4-Chloro-2-[5-(3-trifluoromethylphenyl)-[1,2,3]triazol-1-yl]phenoxy}acetonitrile
CID 24998990
5-(4-Chlorophenyl)-1-[2,4-dichloro-6-[(3,4-difluorophenyl)methoxy]phenyl]pyrazole
CID 68880020
1-(5-chloro-2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,3-Triazole
CID 70903714
1-[2-(2,4-Dichlorophenoxy)phenyl]-5-(3,4-difluorophenyl)triazole
CID 86345996

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-fluorophenoxy)phenyl]-5-phenyltriazole?
The IUPAC name of 1-[2-(3-chloro-4-fluorophenoxy)phenyl]-5-phenyltriazole (CID 86345994) is 1-[2-(3-chloro-4-fluorophenoxy)phenyl]-5-phenyltriazole.
What is the SMILES notation for 1-[2-(3-chloro-4-fluorophenoxy)phenyl]-5-phenyltriazole?
The canonical SMILES for 1-[2-(3-chloro-4-fluorophenoxy)phenyl]-5-phenyltriazole is Fc1ccc(Oc2ccccc2-n2nncc2-c2ccccc2)cc1Cl.
What is the InChIKey of 1-[2-(3-chloro-4-fluorophenoxy)phenyl]-5-phenyltriazole?
The InChIKey is STQMRXUCVXVKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3O/c21-16-12-15(10-11-17(16)22)26-20-9-5-4-8-18(20)25-19(13-23-24-25)14-6-2-1-3-7-14/h1-13H.
What are the key properties of 1-[2-(3-chloro-4-fluorophenoxy)phenyl]-5-phenyltriazole?
1-[2-(3-chloro-4-fluorophenoxy)phenyl]-5-phenyltriazole has a molecular weight of 365.80 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-fluorophenoxy)phenyl]-5-phenyltriazole is sourced from PubChem (CID 86345994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).