2-[2-(4-chlorophenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C14H20BClO2 — CID 46221962

IUPAC2-[2-(4-chlorophenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(CCc2ccc(Cl)cc2)OC1(C)C
InChIInChI=1S/C14H20BClO2/c1-13(2)14(3,4)18-15(17-13)10-9-11-5-7-12(16)8-6-11/h5-8H,9-10H2,1-4H3
InChIKeyBUSKOHHHQUMTIT-UHFFFAOYSA-N
MW266.58 g/mol
LogP3.97
Rot. Bonds3

About 2-[2-(4-chlorophenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[2-(4-chlorophenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 46221962) has the molecular formula C14H20BClO2 and a molecular weight of 266.58 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID46221962
Molecular FormulaC14H20BClO2
Molecular Weight266.58 g/mol
Exact Mass266.12
IUPAC Name2-[2-(4-chlorophenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(CCc2ccc(Cl)cc2)OC1(C)C
InChIInChI=1S/C14H20BClO2/c1-13(2)14(3,4)18-15(17-13)10-9-11-5-7-12(16)8-6-11/h5-8H,9-10H2,1-4H3
InChIKeyBUSKOHHHQUMTIT-UHFFFAOYSA-N
XLogP3.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.58
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(4-chlorophenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 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

2-(4-Chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10633712
(E)-2-(4-Chlorostyryl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11021782
4,4,5,5-Tetramethyl-2-(1-phenylethyl)-1,3,2-dioxaborolane
CID 11402003
2-[(E)-2-(3-Chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 16218161
2-(2-Chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 23005421
2-(2,5-Dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 57416222
(E)-2-(4-(3,5-dichlorostyryl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 57390251
4,4,5,5-Tetramethyl-2-(4-propylphenyl)-1,3,2-dioxaborolane
CID 57399970
2-((E)-2-(2-chlorophenyl)ethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 72942450
2-(3-Chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10037225
4-Butylphenylboronic acid pinacol ester
CID 11817803
4,4,5,5-Tetramethyl-2-(3-phenylpropyl)-1,3,2-dioxaborolane
CID 15605871

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 46221962) is 2-[2-(4-chlorophenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(CCc2ccc(Cl)cc2)OC1(C)C.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is BUSKOHHHQUMTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BClO2/c1-13(2)14(3,4)18-15(17-13)10-9-11-5-7-12(16)8-6-11/h5-8H,9-10H2,1-4H3.
What are the key properties of 2-[2-(4-chlorophenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[2-(4-chlorophenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 266.58 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 46221962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).