phenyl-di(propan-2-yloxy)borane

C12H19BO2 — CID 569210

IUPACphenyl-di(propan-2-yloxy)borane
SMILESCC(C)OB(OC(C)C)c1ccccc1
InChIInChI=1S/C12H19BO2/c1-10(2)14-13(15-11(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKeyDQKUIEDINFBQDR-UHFFFAOYSA-N
MW206.09 g/mol
LogP2.23
Rot. Bonds5

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

phenyl-di(propan-2-yloxy)borane (PubChem CID 569210) has the molecular formula C12H19BO2 and a molecular weight of 206.09 g/mol. Its IUPAC name is phenyl-di(propan-2-yloxy)borane.

Molecular Properties

Compound Namephenyl-di(propan-2-yloxy)borane
PubChem CID569210
Molecular FormulaC12H19BO2
Molecular Weight206.09 g/mol
Exact Mass206.15
IUPAC Namephenyl-di(propan-2-yloxy)borane
SMILESCC(C)OB(OC(C)C)c1ccccc1
InChIInChI=1S/C12H19BO2/c1-10(2)14-13(15-11(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKeyDQKUIEDINFBQDR-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.09
LogP ≤ 52.23
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 phenyl-di(propan-2-yloxy)borane?
The IUPAC name of phenyl-di(propan-2-yloxy)borane (CID 569210) is phenyl-di(propan-2-yloxy)borane.
What is the SMILES notation for phenyl-di(propan-2-yloxy)borane?
The canonical SMILES for phenyl-di(propan-2-yloxy)borane is CC(C)OB(OC(C)C)c1ccccc1.
What is the InChIKey of phenyl-di(propan-2-yloxy)borane?
The InChIKey is DQKUIEDINFBQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BO2/c1-10(2)14-13(15-11(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3.
What are the key properties of phenyl-di(propan-2-yloxy)borane?
phenyl-di(propan-2-yloxy)borane has a molecular weight of 206.09 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-di(propan-2-yloxy)borane is sourced from PubChem (CID 569210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).