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

C12H16BClO2 — CID 23005421

IUPAC2-(2-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccccc2Cl)OC1(C)C
InChIInChI=1S/C12H16BClO2/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8H,1-4H3
InChIKeyCDVCBWQNFHAZRD-UHFFFAOYSA-N
MW238.52 g/mol
LogP2.64
Rot. Bonds1

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

2-(2-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 23005421) has the molecular formula C12H16BClO2 and a molecular weight of 238.52 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID23005421
Molecular FormulaC12H16BClO2
Molecular Weight238.52 g/mol
Exact Mass238.09
IUPAC Name2-(2-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccccc2Cl)OC1(C)C
InChIInChI=1S/C12H16BClO2/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8H,1-4H3
InChIKeyCDVCBWQNFHAZRD-UHFFFAOYSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.52
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 23005421) is 2-(2-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2ccccc2Cl)OC1(C)C.
What is the InChIKey of 2-(2-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is CDVCBWQNFHAZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BClO2/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8H,1-4H3.
What are the key properties of 2-(2-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(2-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 238.52 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 23005421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).