CID 89242212

C10H7BO2 — CID 89242212

IUPAC—
SMILES[B]CC(=O)c1coc2ccccc12
InChIInChI=1S/C10H7BO2/c11-5-9(12)8-6-13-10-4-2-1-3-7(8)10/h1-4,6H,5H2
InChIKeyMBUWFYAQCADPRI-UHFFFAOYSA-N
MW169.98 g/mol
LogP2.20
Rot. Bonds2

About CID 89242212

CID 89242212 (PubChem CID 89242212) has the molecular formula C10H7BO2 and a molecular weight of 169.98 g/mol.

Molecular Properties

Compound NameCID 89242212
PubChem CID89242212
Molecular FormulaC10H7BO2
Molecular Weight169.98 g/mol
Exact Mass170.05
IUPAC Name—
SMILES[B]CC(=O)c1coc2ccccc12
InChIInChI=1S/C10H7BO2/c11-5-9(12)8-6-13-10-4-2-1-3-7(8)10/h1-4,6H,5H2
InChIKeyMBUWFYAQCADPRI-UHFFFAOYSA-N
XLogP2.20
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.98
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-(benzenesulfinyl)-1-(1-benzofuran-3-yl)ethanone
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tert-butyl 3-(1-benzofuran-3-yl)-3-oxopropanoate
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1-(1-benzofuran-3-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43794594
4-amino-1-(1-benzofuran-3-yl)-3-methylbutan-1-one
CID 116916164
1-(1-benzofuran-3-yl)-2-propan-2-ylsulfonylethanone
CID 64635615
1-(1-benzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799431
1-(1-benzofuran-3-yl)-2-(4-chlorophenyl)sulfanylethanone
CID 43802131
1-(1-benzofuran-3-yl)-2-(2-iodophenoxy)ethanone
CID 62032360
1-(1-benzofuran-3-yl)-2-butan-2-ylsulfanylethanone
CID 43802021
1-(1-benzofuran-3-yl)-2-(2-methoxyphenoxy)ethanone
CID 43612267
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]azepane-2,7-dione
CID 62024167

Frequently Asked Questions

What is the IUPAC name of CID 89242212?
The IUPAC name of CID 89242212 (CID 89242212) is not available.
What is the SMILES notation for CID 89242212?
The canonical SMILES for CID 89242212 is [B]CC(=O)c1coc2ccccc12.
What is the InChIKey of CID 89242212?
The InChIKey is MBUWFYAQCADPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BO2/c11-5-9(12)8-6-13-10-4-2-1-3-7(8)10/h1-4,6H,5H2.
What are the key properties of CID 89242212?
CID 89242212 has a molecular weight of 169.98 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89242212 is sourced from PubChem (CID 89242212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).