CID 165059065

C16H12BO2 — CID 165059065

IUPAC—
SMILESO[B]Oc1cc2ccccc2cc1-c1ccccc1
InChIInChI=1S/C16H12BO2/c18-17-19-16-11-14-9-5-4-8-13(14)10-15(16)12-6-2-1-3-7-12/h1-11,18H
InChIKeyPOKKJPRXZXOABQ-UHFFFAOYSA-N
MW247.08 g/mol
LogP3.41
Rot. Bonds3

About CID 165059065

CID 165059065 (PubChem CID 165059065) has the molecular formula C16H12BO2 and a molecular weight of 247.08 g/mol.

Molecular Properties

Compound NameCID 165059065
PubChem CID165059065
Molecular FormulaC16H12BO2
Molecular Weight247.08 g/mol
Exact Mass247.09
IUPAC Name—
SMILESO[B]Oc1cc2ccccc2cc1-c1ccccc1
InChIInChI=1S/C16H12BO2/c18-17-19-16-11-14-9-5-4-8-13(14)10-15(16)12-6-2-1-3-7-12/h1-11,18H
InChIKeyPOKKJPRXZXOABQ-UHFFFAOYSA-N
XLogP3.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 165059065?
The IUPAC name of CID 165059065 (CID 165059065) is not available.
What is the SMILES notation for CID 165059065?
The canonical SMILES for CID 165059065 is O[B]Oc1cc2ccccc2cc1-c1ccccc1.
What is the InChIKey of CID 165059065?
The InChIKey is POKKJPRXZXOABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BO2/c18-17-19-16-11-14-9-5-4-8-13(14)10-15(16)12-6-2-1-3-7-12/h1-11,18H.
What are the key properties of CID 165059065?
CID 165059065 has a molecular weight of 247.08 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165059065 is sourced from PubChem (CID 165059065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).