1-chloro-2-(2,4-dichlorophenyl)-3-trimethylsilylpropan-2-ol

C12H17Cl3OSi — CID 19086773

IUPAC1-chloro-2-(2,4-dichlorophenyl)-3-trimethylsilylpropan-2-ol
SMILESC[Si](C)(C)CC(O)(CCl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl3OSi/c1-17(2,3)8-12(16,7-13)10-5-4-9(14)6-11(10)15/h4-6,16H,7-8H2,1-3H3
InChIKeyKCFWMNNSRQCESK-UHFFFAOYSA-N
MW311.71 g/mol
LogP4.76
Rot. Bonds4

About 1-chloro-2-(2,4-dichlorophenyl)-3-trimethylsilylpropan-2-ol

1-chloro-2-(2,4-dichlorophenyl)-3-trimethylsilylpropan-2-ol (PubChem CID 19086773) has the molecular formula C12H17Cl3OSi and a molecular weight of 311.71 g/mol. Its IUPAC name is 1-chloro-2-(2,4-dichlorophenyl)-3-trimethylsilylpropan-2-ol.

Molecular Properties

Compound Name1-chloro-2-(2,4-dichlorophenyl)-3-trimethylsilylpropan-2-ol
PubChem CID19086773
Molecular FormulaC12H17Cl3OSi
Molecular Weight311.71 g/mol
Exact Mass310.01
IUPAC Name1-chloro-2-(2,4-dichlorophenyl)-3-trimethylsilylpropan-2-ol
SMILESC[Si](C)(C)CC(O)(CCl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl3OSi/c1-17(2,3)8-12(16,7-13)10-5-4-9(14)6-11(10)15/h4-6,16H,7-8H2,1-3H3
InChIKeyKCFWMNNSRQCESK-UHFFFAOYSA-N
XLogP4.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.71
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-chloro-2-(2,4-dichlorophenyl)-3-trimethylsilylpropan-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

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2,4-dichlorophenyl)-3-trimethylsilylpropan-2-ol?
The IUPAC name of 1-chloro-2-(2,4-dichlorophenyl)-3-trimethylsilylpropan-2-ol (CID 19086773) is 1-chloro-2-(2,4-dichlorophenyl)-3-trimethylsilylpropan-2-ol.
What is the SMILES notation for 1-chloro-2-(2,4-dichlorophenyl)-3-trimethylsilylpropan-2-ol?
The canonical SMILES for 1-chloro-2-(2,4-dichlorophenyl)-3-trimethylsilylpropan-2-ol is C[Si](C)(C)CC(O)(CCl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-chloro-2-(2,4-dichlorophenyl)-3-trimethylsilylpropan-2-ol?
The InChIKey is KCFWMNNSRQCESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl3OSi/c1-17(2,3)8-12(16,7-13)10-5-4-9(14)6-11(10)15/h4-6,16H,7-8H2,1-3H3.
What are the key properties of 1-chloro-2-(2,4-dichlorophenyl)-3-trimethylsilylpropan-2-ol?
1-chloro-2-(2,4-dichlorophenyl)-3-trimethylsilylpropan-2-ol has a molecular weight of 311.71 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2,4-dichlorophenyl)-3-trimethylsilylpropan-2-ol is sourced from PubChem (CID 19086773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).