1-[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-phenylmethoxypropyl]-1,2,4-triazole

C24H21Cl2N3O2 — CID 71258628

IUPAC1-[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-phenylmethoxypropyl]-1,2,4-triazole
SMILESCC(Cn1cncn1)(OCc1ccccc1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C24H21Cl2N3O2/c1-24(15-29-17-27-16-28-29,30-14-18-5-3-2-4-6-18)22-12-11-21(13-23(22)26)31-20-9-7-19(25)8-10-20/h2-13,16-17H,14-15H2,1H3
InChIKeyRSGBMJWCYDTNBM-UHFFFAOYSA-N
MW454.36 g/mol
LogP6.51
Rot. Bonds8

About 1-[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-phenylmethoxypropyl]-1,2,4-triazole

1-[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-phenylmethoxypropyl]-1,2,4-triazole (PubChem CID 71258628) has the molecular formula C24H21Cl2N3O2 and a molecular weight of 454.36 g/mol. Its IUPAC name is 1-[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-phenylmethoxypropyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-phenylmethoxypropyl]-1,2,4-triazole
PubChem CID71258628
Molecular FormulaC24H21Cl2N3O2
Molecular Weight454.36 g/mol
Exact Mass453.10
IUPAC Name1-[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-phenylmethoxypropyl]-1,2,4-triazole
SMILESCC(Cn1cncn1)(OCc1ccccc1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C24H21Cl2N3O2/c1-24(15-29-17-27-16-28-29,30-14-18-5-3-2-4-6-18)22-12-11-21(13-23(22)26)31-20-9-7-19(25)8-10-20/h2-13,16-17H,14-15H2,1H3
InChIKeyRSGBMJWCYDTNBM-UHFFFAOYSA-N
XLogP6.51
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.36
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-phenylmethoxypropyl]-1,2,4-triazole 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-[(2S)-2-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-methoxypropyl]-1,2,4-triazole
CID 90240272
(2S)-2-[2-chloro-4-(4-chlorophenoxy)phenyl]-1-(1,2,4-triazol-1-yl)pent-3-en-2-ol
CID 175765169
(3R)-2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-fluoro-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 90239812
2-[2-chloro-4-(4-chlorophenoxy)phenyl]-1-(1,2,4-triazol-1-yl)hexan-2-ol
CID 71258978
1-[2-chloro-4-(4-chlorophenoxy)phenyl]-1-propan-2-yloxy-2-(1,2,4-triazol-1-yl)ethanol
CID 141295495
1-[3-butoxy-2-(2,4-dichlorophenyl)-2-phenylmethoxypropyl]-1,2,4-triazole
CID 70465829
1-[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-cyclopropyl-2-methoxyethyl]-1,2,4-triazole
CID 71259003
5-(4-chlorophenoxy)-2-[2-methoxy-1-(1,2,4-triazol-1-yl)propan-2-yl]benzonitrile
CID 90189051
(3S)-2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-fluoro-1-(1,2,4-triazol-1-yl)butan-2-ol;hydrochloride
CID 90240920
1-[2-[4-(4-chlorophenoxy)-2-(2,2,2-trifluoroethyl)phenyl]-2-methoxypropyl]-1,2,4-triazole
CID 135185350
2-[4-(4-tert-butylphenoxy)-2-chlorophenyl]-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoic acid
CID 155124198
propan-2-yl 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate
CID 142588699

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-phenylmethoxypropyl]-1,2,4-triazole?
The IUPAC name of 1-[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-phenylmethoxypropyl]-1,2,4-triazole (CID 71258628) is 1-[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-phenylmethoxypropyl]-1,2,4-triazole.
What is the SMILES notation for 1-[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-phenylmethoxypropyl]-1,2,4-triazole?
The canonical SMILES for 1-[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-phenylmethoxypropyl]-1,2,4-triazole is CC(Cn1cncn1)(OCc1ccccc1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 1-[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-phenylmethoxypropyl]-1,2,4-triazole?
The InChIKey is RSGBMJWCYDTNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O2/c1-24(15-29-17-27-16-28-29,30-14-18-5-3-2-4-6-18)22-12-11-21(13-23(22)26)31-20-9-7-19(25)8-10-20/h2-13,16-17H,14-15H2,1H3.
What are the key properties of 1-[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-phenylmethoxypropyl]-1,2,4-triazole?
1-[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-phenylmethoxypropyl]-1,2,4-triazole has a molecular weight of 454.36 g/mol, XLogP of 6.51, 8 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]-2-phenylmethoxypropyl]-1,2,4-triazole is sourced from PubChem (CID 71258628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).