CID 23624143

C8H12BO2 — CID 23624143

IUPAC—
SMILESCCc1ccccc1.O[B]O
InChIInChI=1S/C8H10.BH2O2/c1-2-8-6-4-3-5-7-8;2-1-3/h3-7H,2H2,1H3;2-3H
InChIKeySIDZKIHPFAIMMG-UHFFFAOYSA-N
MW150.99 g/mol
LogP0.75
Rot. Bonds1

About CID 23624143

CID 23624143 (PubChem CID 23624143) has the molecular formula C8H12BO2 and a molecular weight of 150.99 g/mol.

Molecular Properties

Compound NameCID 23624143
PubChem CID23624143
Molecular FormulaC8H12BO2
Molecular Weight150.99 g/mol
Exact Mass151.09
IUPAC Name—
SMILESCCc1ccccc1.O[B]O
InChIInChI=1S/C8H10.BH2O2/c1-2-8-6-4-3-5-7-8;2-1-3/h3-7H,2H2,1H3;2-3H
InChIKeySIDZKIHPFAIMMG-UHFFFAOYSA-N
XLogP0.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.99
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 23624143?
The IUPAC name of CID 23624143 (CID 23624143) is not available.
What is the SMILES notation for CID 23624143?
The canonical SMILES for CID 23624143 is CCc1ccccc1.O[B]O.
What is the InChIKey of CID 23624143?
The InChIKey is SIDZKIHPFAIMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.BH2O2/c1-2-8-6-4-3-5-7-8;2-1-3/h3-7H,2H2,1H3;2-3H.
What are the key properties of CID 23624143?
CID 23624143 has a molecular weight of 150.99 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23624143 is sourced from PubChem (CID 23624143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).