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

C18H19BCl2O2 — CID 156903319

IUPAC2-[3-chloro-2-(3-chlorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cccc(Cl)c2-c2cccc(Cl)c2)OC1(C)C
InChIInChI=1S/C18H19BCl2O2/c1-17(2)18(3,4)23-19(22-17)14-9-6-10-15(21)16(14)12-7-5-8-13(20)11-12/h5-11H,1-4H3
InChIKeyUPTMWASQOLVXBJ-UHFFFAOYSA-N
MW349.07 g/mol
LogP4.96
Rot. Bonds2

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

2-[3-chloro-2-(3-chlorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 156903319) has the molecular formula C18H19BCl2O2 and a molecular weight of 349.07 g/mol. Its IUPAC name is 2-[3-chloro-2-(3-chlorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[3-chloro-2-(3-chlorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID156903319
Molecular FormulaC18H19BCl2O2
Molecular Weight349.07 g/mol
Exact Mass348.09
IUPAC Name2-[3-chloro-2-(3-chlorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cccc(Cl)c2-c2cccc(Cl)c2)OC1(C)C
InChIInChI=1S/C18H19BCl2O2/c1-17(2)18(3,4)23-19(22-17)14-9-6-10-15(21)16(14)12-7-5-8-13(20)11-12/h5-11H,1-4H3
InChIKeyUPTMWASQOLVXBJ-UHFFFAOYSA-N
XLogP4.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.07
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chlorophenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 164662497
1-bromo-3-chloro-2-(3-chlorophenyl)benzene
CID 57354961
2-(3-chlorophenyl)pyrimidine;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158978050
2-(3-bromo-2-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 147153649
2,4-dichloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 138987153
2-[4-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140829023
2-[2-(3,4-dichloro-5-methylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 66570718
4,4,5,5-tetramethyl-2-[2,4,5-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 66897544
2,3-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CID 90078597
(3-chlorophenyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
CID 75487306
4,4,5,5-tetramethyl-2-[2-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,2-dioxaborolane
CID 140933550
2-(2-chloro-4-isocyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123417021

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(3-chlorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[3-chloro-2-(3-chlorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 156903319) is 2-[3-chloro-2-(3-chlorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[3-chloro-2-(3-chlorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[3-chloro-2-(3-chlorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2cccc(Cl)c2-c2cccc(Cl)c2)OC1(C)C.
What is the InChIKey of 2-[3-chloro-2-(3-chlorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is UPTMWASQOLVXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BCl2O2/c1-17(2)18(3,4)23-19(22-17)14-9-6-10-15(21)16(14)12-7-5-8-13(20)11-12/h5-11H,1-4H3.
What are the key properties of 2-[3-chloro-2-(3-chlorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[3-chloro-2-(3-chlorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 349.07 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(3-chlorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 156903319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).