CID 175409940

C15H15BO — CID 175409940

IUPAC—
SMILES[B]OC(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C15H15BO/c1-11-7-3-5-9-13(11)15(17-16)14-10-6-4-8-12(14)2/h3-10,15H,1-2H3
InChIKeyZEQFOMQJSSUTEC-UHFFFAOYSA-N
MW222.10 g/mol
LogP3.49
Rot. Bonds3

About CID 175409940

CID 175409940 (PubChem CID 175409940) has the molecular formula C15H15BO and a molecular weight of 222.10 g/mol.

Molecular Properties

Compound NameCID 175409940
PubChem CID175409940
Molecular FormulaC15H15BO
Molecular Weight222.10 g/mol
Exact Mass222.12
IUPAC Name—
SMILES[B]OC(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C15H15BO/c1-11-7-3-5-9-13(11)15(17-16)14-10-6-4-8-12(14)2/h3-10,15H,1-2H3
InChIKeyZEQFOMQJSSUTEC-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.10
LogP ≤ 53.49
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-methyl-2-[2-methyl-1-(2-methylphenyl)propyl]benzene
CID 14267704
1-methyl-2-(3-methylpentan-2-yl)benzene
CID 23555669
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Frequently Asked Questions

What is the IUPAC name of CID 175409940?
The IUPAC name of CID 175409940 (CID 175409940) is not available.
What is the SMILES notation for CID 175409940?
The canonical SMILES for CID 175409940 is [B]OC(c1ccccc1C)c1ccccc1C.
What is the InChIKey of CID 175409940?
The InChIKey is ZEQFOMQJSSUTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BO/c1-11-7-3-5-9-13(11)15(17-16)14-10-6-4-8-12(14)2/h3-10,15H,1-2H3.
What are the key properties of CID 175409940?
CID 175409940 has a molecular weight of 222.10 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175409940 is sourced from PubChem (CID 175409940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).