[4-(4-boranylphenyl)phenyl]-phenylmethanone

C19H15BO — CID 88897170

IUPAC[4-(4-boranylphenyl)phenyl]-phenylmethanone
SMILESBc1ccc(-c2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C19H15BO/c20-18-12-10-15(11-13-18)14-6-8-17(9-7-14)19(21)16-4-2-1-3-5-16/h1-13H,20H2
InChIKeyWHZBSHLATFUALN-UHFFFAOYSA-N
MW270.14 g/mol
LogP2.84
Rot. Bonds3

About [4-(4-boranylphenyl)phenyl]-phenylmethanone

[4-(4-boranylphenyl)phenyl]-phenylmethanone (PubChem CID 88897170) has the molecular formula C19H15BO and a molecular weight of 270.14 g/mol. Its IUPAC name is [4-(4-boranylphenyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(4-boranylphenyl)phenyl]-phenylmethanone
PubChem CID88897170
Molecular FormulaC19H15BO
Molecular Weight270.14 g/mol
Exact Mass270.12
IUPAC Name[4-(4-boranylphenyl)phenyl]-phenylmethanone
SMILESBc1ccc(-c2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C19H15BO/c20-18-12-10-15(11-13-18)14-6-8-17(9-7-14)19(21)16-4-2-1-3-5-16/h1-13H,20H2
InChIKeyWHZBSHLATFUALN-UHFFFAOYSA-N
XLogP2.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [4-(4-boranylphenyl)phenyl]-phenylmethanone?
The IUPAC name of [4-(4-boranylphenyl)phenyl]-phenylmethanone (CID 88897170) is [4-(4-boranylphenyl)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(4-boranylphenyl)phenyl]-phenylmethanone?
The canonical SMILES for [4-(4-boranylphenyl)phenyl]-phenylmethanone is Bc1ccc(-c2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-(4-boranylphenyl)phenyl]-phenylmethanone?
The InChIKey is WHZBSHLATFUALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BO/c20-18-12-10-15(11-13-18)14-6-8-17(9-7-14)19(21)16-4-2-1-3-5-16/h1-13H,20H2.
What are the key properties of [4-(4-boranylphenyl)phenyl]-phenylmethanone?
[4-(4-boranylphenyl)phenyl]-phenylmethanone has a molecular weight of 270.14 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-boranylphenyl)phenyl]-phenylmethanone is sourced from PubChem (CID 88897170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).