(2-chlorophenyl)-di(propan-2-yloxy)borane

C12H18BClO2 — CID 11299456

IUPAC(2-chlorophenyl)-di(propan-2-yloxy)borane
SMILESCC(C)OB(OC(C)C)c1ccccc1Cl
InChIInChI=1S/C12H18BClO2/c1-9(2)15-13(16-10(3)4)11-7-5-6-8-12(11)14/h5-10H,1-4H3
InChIKeyHPJBAEUADCYSTD-UHFFFAOYSA-N
MW240.54 g/mol
LogP2.89
Rot. Bonds5

About (2-chlorophenyl)-di(propan-2-yloxy)borane

(2-chlorophenyl)-di(propan-2-yloxy)borane (PubChem CID 11299456) has the molecular formula C12H18BClO2 and a molecular weight of 240.54 g/mol. Its IUPAC name is (2-chlorophenyl)-di(propan-2-yloxy)borane.

Molecular Properties

Compound Name(2-chlorophenyl)-di(propan-2-yloxy)borane
PubChem CID11299456
Molecular FormulaC12H18BClO2
Molecular Weight240.54 g/mol
Exact Mass240.11
IUPAC Name(2-chlorophenyl)-di(propan-2-yloxy)borane
SMILESCC(C)OB(OC(C)C)c1ccccc1Cl
InChIInChI=1S/C12H18BClO2/c1-9(2)15-13(16-10(3)4)11-7-5-6-8-12(11)14/h5-10H,1-4H3
InChIKeyHPJBAEUADCYSTD-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.54
LogP ≤ 52.89
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-chlorophenyl)-di(propan-2-yloxy)borane?
The IUPAC name of (2-chlorophenyl)-di(propan-2-yloxy)borane (CID 11299456) is (2-chlorophenyl)-di(propan-2-yloxy)borane.
What is the SMILES notation for (2-chlorophenyl)-di(propan-2-yloxy)borane?
The canonical SMILES for (2-chlorophenyl)-di(propan-2-yloxy)borane is CC(C)OB(OC(C)C)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-di(propan-2-yloxy)borane?
The InChIKey is HPJBAEUADCYSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BClO2/c1-9(2)15-13(16-10(3)4)11-7-5-6-8-12(11)14/h5-10H,1-4H3.
What are the key properties of (2-chlorophenyl)-di(propan-2-yloxy)borane?
(2-chlorophenyl)-di(propan-2-yloxy)borane has a molecular weight of 240.54 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-di(propan-2-yloxy)borane is sourced from PubChem (CID 11299456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).