CID 119079535

C13H11BOP — CID 119079535

IUPAC—
SMILES[B-][P+]1(c2ccccc2)OCc2ccccc21
InChIInChI=1S/C13H11BOP/c14-16(12-7-2-1-3-8-12)13-9-5-4-6-11(13)10-15-16/h1-9H,10H2
InChIKeyFMFILGMKXYPSPG-UHFFFAOYSA-N
MW225.02 g/mol
LogP2.18
Rot. Bonds1

About CID 119079535

CID 119079535 (PubChem CID 119079535) has the molecular formula C13H11BOP and a molecular weight of 225.02 g/mol.

Molecular Properties

Compound NameCID 119079535
PubChem CID119079535
Molecular FormulaC13H11BOP
Molecular Weight225.02 g/mol
Exact Mass225.06
IUPAC Name—
SMILES[B-][P+]1(c2ccccc2)OCc2ccccc21
InChIInChI=1S/C13H11BOP/c14-16(12-7-2-1-3-8-12)13-9-5-4-6-11(13)10-15-16/h1-9H,10H2
InChIKeyFMFILGMKXYPSPG-UHFFFAOYSA-N
XLogP2.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.02
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 119079535?
The IUPAC name of CID 119079535 (CID 119079535) is not available.
What is the SMILES notation for CID 119079535?
The canonical SMILES for CID 119079535 is [B-][P+]1(c2ccccc2)OCc2ccccc21.
What is the InChIKey of CID 119079535?
The InChIKey is FMFILGMKXYPSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BOP/c14-16(12-7-2-1-3-8-12)13-9-5-4-6-11(13)10-15-16/h1-9H,10H2.
What are the key properties of CID 119079535?
CID 119079535 has a molecular weight of 225.02 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 119079535 is sourced from PubChem (CID 119079535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).