2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethanol

C14H23ClO2Si — CID 18988072

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethanol
SMILESCC(C)(C)[Si](C)(C)OC(CO)c1cccc(Cl)c1
InChIInChI=1S/C14H23ClO2Si/c1-14(2,3)18(4,5)17-13(10-16)11-7-6-8-12(15)9-11/h6-9,13,16H,10H2,1-5H3
InChIKeyCBTYKOZAUGJUJM-UHFFFAOYSA-N
MW286.88 g/mol
LogP4.40
Rot. Bonds4

About 2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethanol

2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethanol (PubChem CID 18988072) has the molecular formula C14H23ClO2Si and a molecular weight of 286.88 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethanol
PubChem CID18988072
Molecular FormulaC14H23ClO2Si
Molecular Weight286.88 g/mol
Exact Mass286.12
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethanol
SMILESCC(C)(C)[Si](C)(C)OC(CO)c1cccc(Cl)c1
InChIInChI=1S/C14H23ClO2Si/c1-14(2,3)18(4,5)17-13(10-16)11-7-6-8-12(15)9-11/h6-9,13,16H,10H2,1-5H3
InChIKeyCBTYKOZAUGJUJM-UHFFFAOYSA-N
XLogP4.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.88
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethanol 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 2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethanol?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethanol (CID 18988072) is 2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethanol.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethanol?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethanol is CC(C)(C)[Si](C)(C)OC(CO)c1cccc(Cl)c1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethanol?
The InChIKey is CBTYKOZAUGJUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClO2Si/c1-14(2,3)18(4,5)17-13(10-16)11-7-6-8-12(15)9-11/h6-9,13,16H,10H2,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethanol?
2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethanol has a molecular weight of 286.88 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethanol is sourced from PubChem (CID 18988072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).