CID 173152670

C18H19BNO — CID 173152670

IUPAC—
SMILESCC1CCN2[B]OC(c3ccccc3)(c3ccccc3)C12
InChIInChI=1S/C18H19BNO/c1-14-12-13-20-17(14)18(21-19-20,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3
InChIKeyXPRLFAVTQNWRCV-UHFFFAOYSA-N
MW276.17 g/mol
LogP3.20
Rot. Bonds2

About CID 173152670

CID 173152670 (PubChem CID 173152670) has the molecular formula C18H19BNO and a molecular weight of 276.17 g/mol.

Molecular Properties

Compound NameCID 173152670
PubChem CID173152670
Molecular FormulaC18H19BNO
Molecular Weight276.17 g/mol
Exact Mass276.16
IUPAC Name—
SMILESCC1CCN2[B]OC(c3ccccc3)(c3ccccc3)C12
InChIInChI=1S/C18H19BNO/c1-14-12-13-20-17(14)18(21-19-20,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3
InChIKeyXPRLFAVTQNWRCV-UHFFFAOYSA-N
XLogP3.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 53.20
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 CID 173152670?
The IUPAC name of CID 173152670 (CID 173152670) is not available.
What is the SMILES notation for CID 173152670?
The canonical SMILES for CID 173152670 is CC1CCN2[B]OC(c3ccccc3)(c3ccccc3)C12.
What is the InChIKey of CID 173152670?
The InChIKey is XPRLFAVTQNWRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BNO/c1-14-12-13-20-17(14)18(21-19-20,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3.
What are the key properties of CID 173152670?
CID 173152670 has a molecular weight of 276.17 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173152670 is sourced from PubChem (CID 173152670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).