1-(2,4-dichlorophenyl)-1-(oxolan-2-yl)-2-(1,2,4-triazol-1-yl)ethanol

C14H15Cl2N3O2 — CID 67832759

IUPAC1-(2,4-dichlorophenyl)-1-(oxolan-2-yl)-2-(1,2,4-triazol-1-yl)ethanol
SMILESOC(Cn1cncn1)(c1ccc(Cl)cc1Cl)C1CCCO1
InChIInChI=1S/C14H15Cl2N3O2/c15-10-3-4-11(12(16)6-10)14(20,13-2-1-5-21-13)7-19-9-17-8-18-19/h3-4,6,8-9,13,20H,1-2,5,7H2
InChIKeyPOYUAOMSSAVJMR-UHFFFAOYSA-N
MW328.20 g/mol
LogP2.65
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-1-(oxolan-2-yl)-2-(1,2,4-triazol-1-yl)ethanol

1-(2,4-dichlorophenyl)-1-(oxolan-2-yl)-2-(1,2,4-triazol-1-yl)ethanol (PubChem CID 67832759) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-1-(oxolan-2-yl)-2-(1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-1-(oxolan-2-yl)-2-(1,2,4-triazol-1-yl)ethanol
PubChem CID67832759
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC Name1-(2,4-dichlorophenyl)-1-(oxolan-2-yl)-2-(1,2,4-triazol-1-yl)ethanol
SMILESOC(Cn1cncn1)(c1ccc(Cl)cc1Cl)C1CCCO1
InChIInChI=1S/C14H15Cl2N3O2/c15-10-3-4-11(12(16)6-10)14(20,13-2-1-5-21-13)7-19-9-17-8-18-19/h3-4,6,8-9,13,20H,1-2,5,7H2
InChIKeyPOYUAOMSSAVJMR-UHFFFAOYSA-N
XLogP2.65
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-dichlorophenyl)-1-(oxolan-2-yl)-2-(1,2,4-triazol-1-yl)ethanol 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

(1R)-1-(2,4-dichlorophenyl)-1-[(2R)-thiolan-2-yl]-2-(1,2,4-triazol-1-yl)ethanol
CID 14667252
3-chloro-4-[1-cyclopropyl-1-hydroxy-2-(1,2,4-triazol-1-yl)ethyl]phenol
CID 118560094
2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
CID 13305463
3-cyclopropyl-2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 13488627
1-(cyclohexylmethylamino)-2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 18957976
(E)-2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-4-trimethylsilylbut-3-en-2-ol
CID 14747893
1-[2-chloro-4-(4-methylphenyl)phenyl]-1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethanol
CID 118528634
1-(2-chlorophenyl)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782960
2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-3-en-2-ol
CID 67832646
(2R,3S)-2-(2,4-dichlorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)pentane-2,4-diol
CID 57249009
(2R,3S)-3-(2,4-dichlorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanal
CID 139826164
1-(3-chlorophenyl)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782961

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-1-(oxolan-2-yl)-2-(1,2,4-triazol-1-yl)ethanol?
The IUPAC name of 1-(2,4-dichlorophenyl)-1-(oxolan-2-yl)-2-(1,2,4-triazol-1-yl)ethanol (CID 67832759) is 1-(2,4-dichlorophenyl)-1-(oxolan-2-yl)-2-(1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-1-(oxolan-2-yl)-2-(1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-1-(oxolan-2-yl)-2-(1,2,4-triazol-1-yl)ethanol is OC(Cn1cncn1)(c1ccc(Cl)cc1Cl)C1CCCO1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-1-(oxolan-2-yl)-2-(1,2,4-triazol-1-yl)ethanol?
The InChIKey is POYUAOMSSAVJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c15-10-3-4-11(12(16)6-10)14(20,13-2-1-5-21-13)7-19-9-17-8-18-19/h3-4,6,8-9,13,20H,1-2,5,7H2.
What are the key properties of 1-(2,4-dichlorophenyl)-1-(oxolan-2-yl)-2-(1,2,4-triazol-1-yl)ethanol?
1-(2,4-dichlorophenyl)-1-(oxolan-2-yl)-2-(1,2,4-triazol-1-yl)ethanol has a molecular weight of 328.20 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-1-(oxolan-2-yl)-2-(1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 67832759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).