(2-ethenyl-4,6-dimethylphenyl)-(2,4,6-trimethylphenyl)borinic acid

C19H23BO — CID 89337675

IUPAC(2-ethenyl-4,6-dimethylphenyl)-(2,4,6-trimethylphenyl)borinic acid
SMILESC=Cc1cc(C)cc(C)c1B(O)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H23BO/c1-7-17-11-13(3)10-16(6)19(17)20(21)18-14(4)8-12(2)9-15(18)5/h7-11,21H,1H2,2-6H3
InChIKeyXPNOEWOQSJARDY-UHFFFAOYSA-N
MW278.20 g/mol
LogP2.97
Rot. Bonds3

About (2-ethenyl-4,6-dimethylphenyl)-(2,4,6-trimethylphenyl)borinic acid

(2-ethenyl-4,6-dimethylphenyl)-(2,4,6-trimethylphenyl)borinic acid (PubChem CID 89337675) has the molecular formula C19H23BO and a molecular weight of 278.20 g/mol. Its IUPAC name is (2-ethenyl-4,6-dimethylphenyl)-(2,4,6-trimethylphenyl)borinic acid.

Molecular Properties

Compound Name(2-ethenyl-4,6-dimethylphenyl)-(2,4,6-trimethylphenyl)borinic acid
PubChem CID89337675
Molecular FormulaC19H23BO
Molecular Weight278.20 g/mol
Exact Mass278.18
IUPAC Name(2-ethenyl-4,6-dimethylphenyl)-(2,4,6-trimethylphenyl)borinic acid
SMILESC=Cc1cc(C)cc(C)c1B(O)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H23BO/c1-7-17-11-13(3)10-16(6)19(17)20(21)18-14(4)8-12(2)9-15(18)5/h7-11,21H,1H2,2-6H3
InChIKeyXPNOEWOQSJARDY-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 52.97
H-Bond Donors ≤ 51
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 (2-ethenyl-4,6-dimethylphenyl)-(2,4,6-trimethylphenyl)borinic acid?
The IUPAC name of (2-ethenyl-4,6-dimethylphenyl)-(2,4,6-trimethylphenyl)borinic acid (CID 89337675) is (2-ethenyl-4,6-dimethylphenyl)-(2,4,6-trimethylphenyl)borinic acid.
What is the SMILES notation for (2-ethenyl-4,6-dimethylphenyl)-(2,4,6-trimethylphenyl)borinic acid?
The canonical SMILES for (2-ethenyl-4,6-dimethylphenyl)-(2,4,6-trimethylphenyl)borinic acid is C=Cc1cc(C)cc(C)c1B(O)c1c(C)cc(C)cc1C.
What is the InChIKey of (2-ethenyl-4,6-dimethylphenyl)-(2,4,6-trimethylphenyl)borinic acid?
The InChIKey is XPNOEWOQSJARDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BO/c1-7-17-11-13(3)10-16(6)19(17)20(21)18-14(4)8-12(2)9-15(18)5/h7-11,21H,1H2,2-6H3.
What are the key properties of (2-ethenyl-4,6-dimethylphenyl)-(2,4,6-trimethylphenyl)borinic acid?
(2-ethenyl-4,6-dimethylphenyl)-(2,4,6-trimethylphenyl)borinic acid has a molecular weight of 278.20 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenyl-4,6-dimethylphenyl)-(2,4,6-trimethylphenyl)borinic acid is sourced from PubChem (CID 89337675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).