CID 70188502

C16H11BFO — CID 70188502

IUPAC—
SMILESO[B]c1ccc(F)cc1-c1cccc2ccccc12
InChIInChI=1S/C16H11BFO/c18-12-8-9-16(17-19)15(10-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,19H
InChIKeyRXOIXTKNQRUORN-UHFFFAOYSA-N
MW249.07 g/mol
LogP2.88
Rot. Bonds2

About CID 70188502

CID 70188502 (PubChem CID 70188502) has the molecular formula C16H11BFO and a molecular weight of 249.07 g/mol.

Molecular Properties

Compound NameCID 70188502
PubChem CID70188502
Molecular FormulaC16H11BFO
Molecular Weight249.07 g/mol
Exact Mass249.09
IUPAC Name—
SMILESO[B]c1ccc(F)cc1-c1cccc2ccccc12
InChIInChI=1S/C16H11BFO/c18-12-8-9-16(17-19)15(10-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,19H
InChIKeyRXOIXTKNQRUORN-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.07
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 70188502 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
BENZ(a)ANTHRACENE
CID 5954
Chrysene
CID 9171
Naphthacene
CID 7080
9,10-Dimethylanthracene
CID 13076
1-Methylphenanthrene
CID 13257
Triphenylene
CID 9170
9-Methylanthracene
CID 13068
Benzo(c)phenanthrene
CID 9136
1-Methylanthracene
CID 11884

Frequently Asked Questions

What is the IUPAC name of CID 70188502?
The IUPAC name of CID 70188502 (CID 70188502) is not available.
What is the SMILES notation for CID 70188502?
The canonical SMILES for CID 70188502 is O[B]c1ccc(F)cc1-c1cccc2ccccc12.
What is the InChIKey of CID 70188502?
The InChIKey is RXOIXTKNQRUORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BFO/c18-12-8-9-16(17-19)15(10-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,19H.
What are the key properties of CID 70188502?
CID 70188502 has a molecular weight of 249.07 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70188502 is sourced from PubChem (CID 70188502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).