2,6-diphenyl-1,3,6,2-dioxazaborocane

C16H18BNO2 — CID 123134321

IUPAC2,6-diphenyl-1,3,6,2-dioxazaborocane
SMILESc1ccc(B2OCCN(c3ccccc3)CCO2)cc1
InChIInChI=1S/C16H18BNO2/c1-3-7-15(8-4-1)17-19-13-11-18(12-14-20-17)16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyHQGXLNNTTLOHKV-UHFFFAOYSA-N
MW267.14 g/mol
LogP1.94
Rot. Bonds2

About 2,6-diphenyl-1,3,6,2-dioxazaborocane

2,6-diphenyl-1,3,6,2-dioxazaborocane (PubChem CID 123134321) has the molecular formula C16H18BNO2 and a molecular weight of 267.14 g/mol. Its IUPAC name is 2,6-diphenyl-1,3,6,2-dioxazaborocane.

Molecular Properties

Compound Name2,6-diphenyl-1,3,6,2-dioxazaborocane
PubChem CID123134321
Molecular FormulaC16H18BNO2
Molecular Weight267.14 g/mol
Exact Mass267.14
IUPAC Name2,6-diphenyl-1,3,6,2-dioxazaborocane
SMILESc1ccc(B2OCCN(c3ccccc3)CCO2)cc1
InChIInChI=1S/C16H18BNO2/c1-3-7-15(8-4-1)17-19-13-11-18(12-14-20-17)16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyHQGXLNNTTLOHKV-UHFFFAOYSA-N
XLogP1.94
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.14
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 91740648
3-phenyl-1,3-oxazolidine
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azanylidyneazanium;4-phenylmorpholine;tetrafluoroborate
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1-phenyl-4-(1-phenylpiperidin-4-ylidene)piperidine
CID 15946547
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
CID 2795361
4-(4-benzylphenyl)morpholine
CID 11514364
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CID 15576765
4-methylidene-1-phenylpiperidine
CID 58902724

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-1,3,6,2-dioxazaborocane?
The IUPAC name of 2,6-diphenyl-1,3,6,2-dioxazaborocane (CID 123134321) is 2,6-diphenyl-1,3,6,2-dioxazaborocane.
What is the SMILES notation for 2,6-diphenyl-1,3,6,2-dioxazaborocane?
The canonical SMILES for 2,6-diphenyl-1,3,6,2-dioxazaborocane is c1ccc(B2OCCN(c3ccccc3)CCO2)cc1.
What is the InChIKey of 2,6-diphenyl-1,3,6,2-dioxazaborocane?
The InChIKey is HQGXLNNTTLOHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BNO2/c1-3-7-15(8-4-1)17-19-13-11-18(12-14-20-17)16-9-5-2-6-10-16/h1-10H,11-14H2.
What are the key properties of 2,6-diphenyl-1,3,6,2-dioxazaborocane?
2,6-diphenyl-1,3,6,2-dioxazaborocane has a molecular weight of 267.14 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-1,3,6,2-dioxazaborocane is sourced from PubChem (CID 123134321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).