CID 140809859

C8H10BO3 — CID 140809859

IUPAC—
SMILESO[B]Oc1ccc(CCO)cc1
InChIInChI=1S/C8H10BO3/c10-6-5-7-1-3-8(4-2-7)12-9-11/h1-4,10-11H,5-6H2
InChIKeyHGDQZWUILOTXEL-UHFFFAOYSA-N
MW164.98 g/mol
LogP0.13
Rot. Bonds4

About CID 140809859

CID 140809859 (PubChem CID 140809859) has the molecular formula C8H10BO3 and a molecular weight of 164.98 g/mol.

Molecular Properties

Compound NameCID 140809859
PubChem CID140809859
Molecular FormulaC8H10BO3
Molecular Weight164.98 g/mol
Exact Mass165.07
IUPAC Name—
SMILESO[B]Oc1ccc(CCO)cc1
InChIInChI=1S/C8H10BO3/c10-6-5-7-1-3-8(4-2-7)12-9-11/h1-4,10-11H,5-6H2
InChIKeyHGDQZWUILOTXEL-UHFFFAOYSA-N
XLogP0.13
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.98
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 140809859?
The IUPAC name of CID 140809859 (CID 140809859) is not available.
What is the SMILES notation for CID 140809859?
The canonical SMILES for CID 140809859 is O[B]Oc1ccc(CCO)cc1.
What is the InChIKey of CID 140809859?
The InChIKey is HGDQZWUILOTXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BO3/c10-6-5-7-1-3-8(4-2-7)12-9-11/h1-4,10-11H,5-6H2.
What are the key properties of CID 140809859?
CID 140809859 has a molecular weight of 164.98 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140809859 is sourced from PubChem (CID 140809859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).