2-(2,5-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol

C14H19Cl2N3OSi — CID 19086787

IUPAC2-(2,5-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol
SMILESC[Si](C)(C)CC(O)(Cn1cncn1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl2N3OSi/c1-21(2,3)8-14(20,7-19-10-17-9-18-19)12-6-11(15)4-5-13(12)16/h4-6,9-10,20H,7-8H2,1-3H3
InChIKeyOWJQIICKTLZLPG-UHFFFAOYSA-N
MW344.32 g/mol
LogP3.81
Rot. Bonds5

About 2-(2,5-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol

2-(2,5-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol (PubChem CID 19086787) has the molecular formula C14H19Cl2N3OSi and a molecular weight of 344.32 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol
PubChem CID19086787
Molecular FormulaC14H19Cl2N3OSi
Molecular Weight344.32 g/mol
Exact Mass343.07
IUPAC Name2-(2,5-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol
SMILESC[Si](C)(C)CC(O)(Cn1cncn1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl2N3OSi/c1-21(2,3)8-14(20,7-19-10-17-9-18-19)12-6-11(15)4-5-13(12)16/h4-6,9-10,20H,7-8H2,1-3H3
InChIKeyOWJQIICKTLZLPG-UHFFFAOYSA-N
XLogP3.81
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
CID 13305463
2-(4-chlorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol;hydrate
CID 70527557
(2S)-2-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol
CID 66676543
2-(4-methoxyphenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol
CID 10756992
(E)-2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-4-trimethylsilylbut-3-en-2-ol
CID 14747893
N-[2-(2,4-dichlorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]methanesulfonamide
CID 18957987
1-(2-chlorophenyl)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782960
2-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
CID 71322817
1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)phenyl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 70447957
2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-3-en-2-ol
CID 67832646
N-[2-(2,4-dichlorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]ethanesulfonamide
CID 18958000
1-azido-2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 14706518

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol (CID 19086787) is 2-(2,5-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol is C[Si](C)(C)CC(O)(Cn1cncn1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol?
The InChIKey is OWJQIICKTLZLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3OSi/c1-21(2,3)8-14(20,7-19-10-17-9-18-19)12-6-11(15)4-5-13(12)16/h4-6,9-10,20H,7-8H2,1-3H3.
What are the key properties of 2-(2,5-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol?
2-(2,5-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol has a molecular weight of 344.32 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol is sourced from PubChem (CID 19086787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).