CID 155745673

C9H13BO — CID 155745673

IUPAC—
SMILESCC.[B]c1ccc(O)c(C)c1
InChIInChI=1S/C7H7BO.C2H6/c1-5-4-6(8)2-3-7(5)9;1-2/h2-4,9H,1H3;1-2H3
InChIKeyARLOCZCGUZVARR-UHFFFAOYSA-N
MW148.01 g/mol
LogP1.52
Rot. Bonds

About CID 155745673

CID 155745673 (PubChem CID 155745673) has the molecular formula C9H13BO and a molecular weight of 148.01 g/mol.

Molecular Properties

Compound NameCID 155745673
PubChem CID155745673
Molecular FormulaC9H13BO
Molecular Weight148.01 g/mol
Exact Mass148.11
IUPAC Name—
SMILESCC.[B]c1ccc(O)c(C)c1
InChIInChI=1S/C7H7BO.C2H6/c1-5-4-6(8)2-3-7(5)9;1-2/h2-4,9H,1H3;1-2H3
InChIKeyARLOCZCGUZVARR-UHFFFAOYSA-N
XLogP1.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.01
LogP ≤ 51.52
H-Bond Donors ≤ 51
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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2,4-dimethylphenol;yttrium
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CID 88874931
CID 88874931
4-(4-hydroxy-3-methylanilino)-2-methylphenol
CID 67263150
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CID 174391374
ethane;2-methylphenol
CID 54326461
ethane;4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenol
CID 142882643
CID 172598571
CID 172598571
4-(4-hydroxy-3-methylphenyl)tellurinyl-2-methylphenol
CID 71330889
tris(2,4-dimethylphenol);trihydroxy(sulfanylidene)-λ5-phosphane
CID 71332905

Frequently Asked Questions

What is the IUPAC name of CID 155745673?
The IUPAC name of CID 155745673 (CID 155745673) is not available.
What is the SMILES notation for CID 155745673?
The canonical SMILES for CID 155745673 is CC.[B]c1ccc(O)c(C)c1.
What is the InChIKey of CID 155745673?
The InChIKey is ARLOCZCGUZVARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BO.C2H6/c1-5-4-6(8)2-3-7(5)9;1-2/h2-4,9H,1H3;1-2H3.
What are the key properties of CID 155745673?
CID 155745673 has a molecular weight of 148.01 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155745673 is sourced from PubChem (CID 155745673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).