2-(2,4-dichlorophenyl)-3-(2,3-dimethylphenoxy)-1-(1H-1,2,4-triazol-5-yl)pentan-2-ol

C21H23Cl2N3O2 — CID 70528253

IUPAC2-(2,4-dichlorophenyl)-3-(2,3-dimethylphenoxy)-1-(1H-1,2,4-triazol-5-yl)pentan-2-ol
SMILESCCC(Oc1cccc(C)c1C)C(O)(Cc1ncn[nH]1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H23Cl2N3O2/c1-4-19(28-18-7-5-6-13(2)14(18)3)21(27,11-20-24-12-25-26-20)16-9-8-15(22)10-17(16)23/h5-10,12,19,27H,4,11H2,1-3H3,(H,24,25,26)
InChIKeyAGRLVSBQRBMVMM-UHFFFAOYSA-N
MW420.34 g/mol
LogP5.02
Rot. Bonds7

About 2-(2,4-dichlorophenyl)-3-(2,3-dimethylphenoxy)-1-(1H-1,2,4-triazol-5-yl)pentan-2-ol

2-(2,4-dichlorophenyl)-3-(2,3-dimethylphenoxy)-1-(1H-1,2,4-triazol-5-yl)pentan-2-ol (PubChem CID 70528253) has the molecular formula C21H23Cl2N3O2 and a molecular weight of 420.34 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-(2,3-dimethylphenoxy)-1-(1H-1,2,4-triazol-5-yl)pentan-2-ol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-(2,3-dimethylphenoxy)-1-(1H-1,2,4-triazol-5-yl)pentan-2-ol
PubChem CID70528253
Molecular FormulaC21H23Cl2N3O2
Molecular Weight420.34 g/mol
Exact Mass419.12
IUPAC Name2-(2,4-dichlorophenyl)-3-(2,3-dimethylphenoxy)-1-(1H-1,2,4-triazol-5-yl)pentan-2-ol
SMILESCCC(Oc1cccc(C)c1C)C(O)(Cc1ncn[nH]1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H23Cl2N3O2/c1-4-19(28-18-7-5-6-13(2)14(18)3)21(27,11-20-24-12-25-26-20)16-9-8-15(22)10-17(16)23/h5-10,12,19,27H,4,11H2,1-3H3,(H,24,25,26)
InChIKeyAGRLVSBQRBMVMM-UHFFFAOYSA-N
XLogP5.02
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.34
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dichlorophenyl)-3-(2,3-dimethylphenoxy)-1-(1H-1,2,4-triazol-5-yl)pentan-2-ol 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

3-(4-chlorophenoxy)-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-5-yl)butan-2-ol
CID 70528179
2-(2,4-dichlorophenyl)-1-sulfanyl-3-(1H-1,2,4-triazol-5-yl)propan-2-ol
CID 88654184
[2-(2,4-dichlorophenyl)-1-(1H-imidazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)propan-2-yl]oxy-trimethylsilane
CID 67743815
1,2-dimethyl-3-pentan-3-yloxybenzene
CID 103432359
(2R,3S)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)-3-[4-(1,2,4-triazol-4-yl)phenyl]butan-2-ol
CID 57004957
1-(4-chlorophenoxy)-3-(1H-1,2,4-triazol-5-yl)-2-(1H-1,2,4-triazol-5-ylmethyl)propan-2-ol
CID 70514961
ethyl 2-acetyloxy-2-(4-bromo-2-chlorophenyl)-3-(1H-1,2,4-triazol-5-yl)propanoate
CID 70431512
1-(2,4-dichlorophenyl)-2-(2,3-dimethylphenoxy)-2-(1,2,4-triazol-1-yl)ethanone
CID 20574483
(2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 92682220
2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103769288
(2R,3S)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)-3-[4-(1H-1,2,4-triazol-5-yl)phenyl]butan-2-ol
CID 57186826
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 28567804

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-(2,3-dimethylphenoxy)-1-(1H-1,2,4-triazol-5-yl)pentan-2-ol?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-(2,3-dimethylphenoxy)-1-(1H-1,2,4-triazol-5-yl)pentan-2-ol (CID 70528253) is 2-(2,4-dichlorophenyl)-3-(2,3-dimethylphenoxy)-1-(1H-1,2,4-triazol-5-yl)pentan-2-ol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-(2,3-dimethylphenoxy)-1-(1H-1,2,4-triazol-5-yl)pentan-2-ol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-(2,3-dimethylphenoxy)-1-(1H-1,2,4-triazol-5-yl)pentan-2-ol is CCC(Oc1cccc(C)c1C)C(O)(Cc1ncn[nH]1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-(2,3-dimethylphenoxy)-1-(1H-1,2,4-triazol-5-yl)pentan-2-ol?
The InChIKey is AGRLVSBQRBMVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O2/c1-4-19(28-18-7-5-6-13(2)14(18)3)21(27,11-20-24-12-25-26-20)16-9-8-15(22)10-17(16)23/h5-10,12,19,27H,4,11H2,1-3H3,(H,24,25,26).
What are the key properties of 2-(2,4-dichlorophenyl)-3-(2,3-dimethylphenoxy)-1-(1H-1,2,4-triazol-5-yl)pentan-2-ol?
2-(2,4-dichlorophenyl)-3-(2,3-dimethylphenoxy)-1-(1H-1,2,4-triazol-5-yl)pentan-2-ol has a molecular weight of 420.34 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-(2,3-dimethylphenoxy)-1-(1H-1,2,4-triazol-5-yl)pentan-2-ol is sourced from PubChem (CID 70528253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).