(4-phenylphenyl)-propan-2-ylborinic acid

C15H17BO — CID 143233696

IUPAC(4-phenylphenyl)-propan-2-ylborinic acid
SMILESCC(C)B(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H17BO/c1-12(2)16(17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,17H,1-2H3
InChIKeyQZHIJTITVDCXNY-UHFFFAOYSA-N
MW224.11 g/mol
LogP2.95
Rot. Bonds3

About (4-phenylphenyl)-propan-2-ylborinic acid

(4-phenylphenyl)-propan-2-ylborinic acid (PubChem CID 143233696) has the molecular formula C15H17BO and a molecular weight of 224.11 g/mol. Its IUPAC name is (4-phenylphenyl)-propan-2-ylborinic acid.

Molecular Properties

Compound Name(4-phenylphenyl)-propan-2-ylborinic acid
PubChem CID143233696
Molecular FormulaC15H17BO
Molecular Weight224.11 g/mol
Exact Mass224.14
IUPAC Name(4-phenylphenyl)-propan-2-ylborinic acid
SMILESCC(C)B(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H17BO/c1-12(2)16(17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,17H,1-2H3
InChIKeyQZHIJTITVDCXNY-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.11
LogP ≤ 52.95
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

phenyl(propan-2-yl)borinic acid
CID 89097943
azulene;boric acid
CID 175218967
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
1-phenyl-4-[4-[1-(4-phenylphenyl)ethyl]phenyl]benzene
CID 174323056
benzene;1,1'-biphenyl;ethane
CID 158550617
benzene;tris(1,1'-biphenyl)
CID 162155747
[3-(4-phenylphenyl)phenyl]boronic acid
CID 71235180
(7-phenylnaphthalen-2-yl)boronic acid
CID 58461088
[4-phenyl-2,6-di(propan-2-yl)phenyl]boronic acid
CID 155616354
1,1'-biphenyl;toluene
CID 18366440
1,4-diphenylbenzene;ethane;methanamine
CID 168951795

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)-propan-2-ylborinic acid?
The IUPAC name of (4-phenylphenyl)-propan-2-ylborinic acid (CID 143233696) is (4-phenylphenyl)-propan-2-ylborinic acid.
What is the SMILES notation for (4-phenylphenyl)-propan-2-ylborinic acid?
The canonical SMILES for (4-phenylphenyl)-propan-2-ylborinic acid is CC(C)B(O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylphenyl)-propan-2-ylborinic acid?
The InChIKey is QZHIJTITVDCXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BO/c1-12(2)16(17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,17H,1-2H3.
What are the key properties of (4-phenylphenyl)-propan-2-ylborinic acid?
(4-phenylphenyl)-propan-2-ylborinic acid has a molecular weight of 224.11 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)-propan-2-ylborinic acid is sourced from PubChem (CID 143233696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).