CID 123655745

C8H9BO — CID 123655745

IUPAC—
SMILES[B]c1ccccc1COC
InChIInChI=1S/C8H9BO/c1-10-6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3
InChIKeyFZLHTGGZHRDAHR-UHFFFAOYSA-N
MW131.97 g/mol
LogP0.63
Rot. Bonds2

About CID 123655745

CID 123655745 (PubChem CID 123655745) has the molecular formula C8H9BO and a molecular weight of 131.97 g/mol.

Molecular Properties

Compound NameCID 123655745
PubChem CID123655745
Molecular FormulaC8H9BO
Molecular Weight131.97 g/mol
Exact Mass132.07
IUPAC Name—
SMILES[B]c1ccccc1COC
InChIInChI=1S/C8H9BO/c1-10-6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3
InChIKeyFZLHTGGZHRDAHR-UHFFFAOYSA-N
XLogP0.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.97
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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1-(benzenesulfonylmethyl)-2-(methoxymethyl)benzene
CID 122679524
1-(methoxymethyl)-2-propan-2-yloxybenzene
CID 154665726
1-ethyl-2-[2-[2-(methoxymethyl)phenyl]ethynyl]benzene
CID 139455003
bis(2-ethylphenyl)-[2-(methoxymethyl)phenyl]bismuthane
CID 22382347
[2-(methoxymethyl)phenyl]-diphenylstibane
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Frequently Asked Questions

What is the IUPAC name of CID 123655745?
The IUPAC name of CID 123655745 (CID 123655745) is not available.
What is the SMILES notation for CID 123655745?
The canonical SMILES for CID 123655745 is [B]c1ccccc1COC.
What is the InChIKey of CID 123655745?
The InChIKey is FZLHTGGZHRDAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BO/c1-10-6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3.
What are the key properties of CID 123655745?
CID 123655745 has a molecular weight of 131.97 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123655745 is sourced from PubChem (CID 123655745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).