CID 145410580

C8H8B2O — CID 145410580

IUPAC—
SMILES[B]c1cc(C)c([B])c(OC)c1
InChIInChI=1S/C8H8B2O/c1-5-3-6(9)4-7(11-2)8(5)10/h3-4H,1-2H3
InChIKeyQAOGLVIEWSUCIA-UHFFFAOYSA-N
MW141.77 g/mol
LogP-0.41
Rot. Bonds1

About CID 145410580

CID 145410580 (PubChem CID 145410580) has the molecular formula C8H8B2O and a molecular weight of 141.77 g/mol.

Molecular Properties

Compound NameCID 145410580
PubChem CID145410580
Molecular FormulaC8H8B2O
Molecular Weight141.77 g/mol
Exact Mass142.08
IUPAC Name—
SMILES[B]c1cc(C)c([B])c(OC)c1
InChIInChI=1S/C8H8B2O/c1-5-3-6(9)4-7(11-2)8(5)10/h3-4H,1-2H3
InChIKeyQAOGLVIEWSUCIA-UHFFFAOYSA-N
XLogP-0.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.77
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 145410580?
The IUPAC name of CID 145410580 (CID 145410580) is not available.
What is the SMILES notation for CID 145410580?
The canonical SMILES for CID 145410580 is [B]c1cc(C)c([B])c(OC)c1.
What is the InChIKey of CID 145410580?
The InChIKey is QAOGLVIEWSUCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8B2O/c1-5-3-6(9)4-7(11-2)8(5)10/h3-4H,1-2H3.
What are the key properties of CID 145410580?
CID 145410580 has a molecular weight of 141.77 g/mol, XLogP of -0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145410580 is sourced from PubChem (CID 145410580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).