CID 90433687

C11H9BO — CID 90433687

IUPAC—
SMILES[B]c1cc2ccccc2cc1OC
InChIInChI=1S/C11H9BO/c1-13-11-7-9-5-3-2-4-8(9)6-10(11)12/h2-7H,1H3
InChIKeyOUCFSFPRNHGIOK-UHFFFAOYSA-N
MW168.00 g/mol
LogP1.64
Rot. Bonds1

About CID 90433687

CID 90433687 (PubChem CID 90433687) has the molecular formula C11H9BO and a molecular weight of 168.00 g/mol.

Molecular Properties

Compound NameCID 90433687
PubChem CID90433687
Molecular FormulaC11H9BO
Molecular Weight168.00 g/mol
Exact Mass168.07
IUPAC Name—
SMILES[B]c1cc2ccccc2cc1OC
InChIInChI=1S/C11H9BO/c1-13-11-7-9-5-3-2-4-8(9)6-10(11)12/h2-7H,1H3
InChIKeyOUCFSFPRNHGIOK-UHFFFAOYSA-N
XLogP1.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.00
LogP ≤ 51.64
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 90433687?
The IUPAC name of CID 90433687 (CID 90433687) is not available.
What is the SMILES notation for CID 90433687?
The canonical SMILES for CID 90433687 is [B]c1cc2ccccc2cc1OC.
What is the InChIKey of CID 90433687?
The InChIKey is OUCFSFPRNHGIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BO/c1-13-11-7-9-5-3-2-4-8(9)6-10(11)12/h2-7H,1H3.
What are the key properties of CID 90433687?
CID 90433687 has a molecular weight of 168.00 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90433687 is sourced from PubChem (CID 90433687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).