CID 140811752

C7H8BO3 — CID 140811752

IUPAC—
SMILESCc1ccc(O)cc1O[B]O
InChIInChI=1S/C7H8BO3/c1-5-2-3-6(9)4-7(5)11-8-10/h2-4,9-10H,1H3
InChIKeyUSEUBJHOSHFEHU-UHFFFAOYSA-N
MW150.95 g/mol
LogP0.61
Rot. Bonds2

About CID 140811752

CID 140811752 (PubChem CID 140811752) has the molecular formula C7H8BO3 and a molecular weight of 150.95 g/mol.

Molecular Properties

Compound NameCID 140811752
PubChem CID140811752
Molecular FormulaC7H8BO3
Molecular Weight150.95 g/mol
Exact Mass151.06
IUPAC Name—
SMILESCc1ccc(O)cc1O[B]O
InChIInChI=1S/C7H8BO3/c1-5-2-3-6(9)4-7(5)11-8-10/h2-4,9-10H,1H3
InChIKeyUSEUBJHOSHFEHU-UHFFFAOYSA-N
XLogP0.61
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.95
LogP ≤ 50.61
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 140811752?
The IUPAC name of CID 140811752 (CID 140811752) is not available.
What is the SMILES notation for CID 140811752?
The canonical SMILES for CID 140811752 is Cc1ccc(O)cc1O[B]O.
What is the InChIKey of CID 140811752?
The InChIKey is USEUBJHOSHFEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BO3/c1-5-2-3-6(9)4-7(5)11-8-10/h2-4,9-10H,1H3.
What are the key properties of CID 140811752?
CID 140811752 has a molecular weight of 150.95 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140811752 is sourced from PubChem (CID 140811752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).