CID 174026267

C22H24BN2O2 — CID 174026267

IUPAC—
SMILESCC(C)(O)C(C)(C)O[B]c1ccc(-c2ccc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C22H24BN2O2/c1-21(2,26)22(3,4)27-23-18-12-10-17(11-13-18)20-15-14-19(24-25-20)16-8-6-5-7-9-16/h5-15,26H,1-4H3
InChIKeyOWRWHZMNCJQADY-UHFFFAOYSA-N
MW359.26 g/mol
LogP3.62
Rot. Bonds6

About CID 174026267

CID 174026267 (PubChem CID 174026267) has the molecular formula C22H24BN2O2 and a molecular weight of 359.26 g/mol.

Molecular Properties

Compound NameCID 174026267
PubChem CID174026267
Molecular FormulaC22H24BN2O2
Molecular Weight359.26 g/mol
Exact Mass359.19
IUPAC Name—
SMILESCC(C)(O)C(C)(C)O[B]c1ccc(-c2ccc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C22H24BN2O2/c1-21(2,26)22(3,4)27-23-18-12-10-17(11-13-18)20-15-14-19(24-25-20)16-8-6-5-7-9-16/h5-15,26H,1-4H3
InChIKeyOWRWHZMNCJQADY-UHFFFAOYSA-N
XLogP3.62
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 174026267?
The IUPAC name of CID 174026267 (CID 174026267) is not available.
What is the SMILES notation for CID 174026267?
The canonical SMILES for CID 174026267 is CC(C)(O)C(C)(C)O[B]c1ccc(-c2ccc(-c3ccccc3)nn2)cc1.
What is the InChIKey of CID 174026267?
The InChIKey is OWRWHZMNCJQADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BN2O2/c1-21(2,26)22(3,4)27-23-18-12-10-17(11-13-18)20-15-14-19(24-25-20)16-8-6-5-7-9-16/h5-15,26H,1-4H3.
What are the key properties of CID 174026267?
CID 174026267 has a molecular weight of 359.26 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174026267 is sourced from PubChem (CID 174026267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).