CID 155586253

C12H11B — CID 155586253

IUPAC—
SMILES[B]c1cccc2c(C)ccc(C)c12
InChIInChI=1S/C12H11B/c1-8-6-7-9(2)12-10(8)4-3-5-11(12)13/h3-7H,1-2H3
InChIKeyVOGOKGDXKIYKRY-UHFFFAOYSA-N
MW166.03 g/mol
LogP2.25
Rot. Bonds

About CID 155586253

CID 155586253 (PubChem CID 155586253) has the molecular formula C12H11B and a molecular weight of 166.03 g/mol.

Molecular Properties

Compound NameCID 155586253
PubChem CID155586253
Molecular FormulaC12H11B
Molecular Weight166.03 g/mol
Exact Mass166.10
IUPAC Name—
SMILES[B]c1cccc2c(C)ccc(C)c12
InChIInChI=1S/C12H11B/c1-8-6-7-9(2)12-10(8)4-3-5-11(12)13/h3-7H,1-2H3
InChIKeyVOGOKGDXKIYKRY-UHFFFAOYSA-N
XLogP2.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.03
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 155586253?
The IUPAC name of CID 155586253 (CID 155586253) is not available.
What is the SMILES notation for CID 155586253?
The canonical SMILES for CID 155586253 is [B]c1cccc2c(C)ccc(C)c12.
What is the InChIKey of CID 155586253?
The InChIKey is VOGOKGDXKIYKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11B/c1-8-6-7-9(2)12-10(8)4-3-5-11(12)13/h3-7H,1-2H3.
What are the key properties of CID 155586253?
CID 155586253 has a molecular weight of 166.03 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155586253 is sourced from PubChem (CID 155586253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).