CID 87388151

C14H15BNO2 — CID 87388151

IUPAC—
SMILESCCO[B]N(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C14H15BNO2/c1-2-17-15-16(13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyYMUXLOASDOQMBL-UHFFFAOYSA-N
MW240.09 g/mol
LogP3.06
Rot. Bonds6

About CID 87388151

CID 87388151 (PubChem CID 87388151) has the molecular formula C14H15BNO2 and a molecular weight of 240.09 g/mol.

Molecular Properties

Compound NameCID 87388151
PubChem CID87388151
Molecular FormulaC14H15BNO2
Molecular Weight240.09 g/mol
Exact Mass240.12
IUPAC Name—
SMILESCCO[B]N(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C14H15BNO2/c1-2-17-15-16(13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyYMUXLOASDOQMBL-UHFFFAOYSA-N
XLogP3.06
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87388151?
The IUPAC name of CID 87388151 (CID 87388151) is not available.
What is the SMILES notation for CID 87388151?
The canonical SMILES for CID 87388151 is CCO[B]N(Oc1ccccc1)c1ccccc1.
What is the InChIKey of CID 87388151?
The InChIKey is YMUXLOASDOQMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BNO2/c1-2-17-15-16(13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h3-12H,2H2,1H3.
What are the key properties of CID 87388151?
CID 87388151 has a molecular weight of 240.09 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87388151 is sourced from PubChem (CID 87388151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).