dibenzyl(methoxy)borane

C15H17BO — CID 86227149

IUPACdibenzyl(methoxy)borane
SMILESCOB(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H17BO/c1-17-16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeyCZLXNIDXXDHISO-UHFFFAOYSA-N
MW224.11 g/mol
LogP3.19
Rot. Bonds5

About dibenzyl(methoxy)borane

dibenzyl(methoxy)borane (PubChem CID 86227149) has the molecular formula C15H17BO and a molecular weight of 224.11 g/mol. Its IUPAC name is dibenzyl(methoxy)borane.

Molecular Properties

Compound Namedibenzyl(methoxy)borane
PubChem CID86227149
Molecular FormulaC15H17BO
Molecular Weight224.11 g/mol
Exact Mass224.14
IUPAC Namedibenzyl(methoxy)borane
SMILESCOB(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H17BO/c1-17-16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeyCZLXNIDXXDHISO-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.11
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzylbenzene;methoxymethane
CID 161110966
benzylbenzene;ethane;methoxymethane
CID 159187560
ethane;ethylbenzene;methoxymethane
CID 91307642
methoxymethylbenzene;silane
CID 174277199
methoxymethylbenzene;vanadium
CID 167445376
lithium;hydride;methoxymethylbenzene
CID 174456658
ethylbenzene;methoxyethane
CID 90842646
2-methoxyethylbenzene
CID 19089
methanol;phenylmethanol
CID 19822462
ethane;methoxymethylbenzene;propane
CID 144561349
benzyl-bis(trifluoromethyl)borane
CID 101101375
tribenzyl(methoxy)stannane
CID 16696635

Frequently Asked Questions

What is the IUPAC name of dibenzyl(methoxy)borane?
The IUPAC name of dibenzyl(methoxy)borane (CID 86227149) is dibenzyl(methoxy)borane.
What is the SMILES notation for dibenzyl(methoxy)borane?
The canonical SMILES for dibenzyl(methoxy)borane is COB(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of dibenzyl(methoxy)borane?
The InChIKey is CZLXNIDXXDHISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BO/c1-17-16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3.
What are the key properties of dibenzyl(methoxy)borane?
dibenzyl(methoxy)borane has a molecular weight of 224.11 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl(methoxy)borane is sourced from PubChem (CID 86227149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).