(3-methylphenyl)-diphenylborane

C19H17B — CID 145125944

IUPAC(3-methylphenyl)-diphenylborane
SMILESCc1cccc(B(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H17B/c1-16-9-8-14-19(15-16)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1H3
InChIKeyRGLKAYOFSYCPHI-UHFFFAOYSA-N
MW256.16 g/mol
LogP2.51
Rot. Bonds3

About (3-methylphenyl)-diphenylborane

(3-methylphenyl)-diphenylborane (PubChem CID 145125944) has the molecular formula C19H17B and a molecular weight of 256.16 g/mol. Its IUPAC name is (3-methylphenyl)-diphenylborane.

Molecular Properties

Compound Name(3-methylphenyl)-diphenylborane
PubChem CID145125944
Molecular FormulaC19H17B
Molecular Weight256.16 g/mol
Exact Mass256.14
IUPAC Name(3-methylphenyl)-diphenylborane
SMILESCc1cccc(B(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H17B/c1-16-9-8-14-19(15-16)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1H3
InChIKeyRGLKAYOFSYCPHI-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.16
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3-methylphenyl)-diphenylborane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

triphenylborane;tris(3-methylphenyl)phosphane
CID 87632532
dichloro-(3-methylphenyl)borane
CID 134904379
fluorooxy-(3-methylphenyl)borinic acid
CID 141302935
aminooxy-(3-methylphenyl)borinic acid
CID 174117625
phosphane;tris(1,3-xylene)
CID 67351774
uranium;1,3-xylene
CID 142096795
argon;1,3-xylene
CID 161468194
ethane;1,3-xylene
CID 54570178
benzene;toluene
CID 158487474
methylcyclotriacontapentadecaene
CID 101240530
titanium(2+);toluene
CID 22023820
ethoxy-bis(3-methylphenyl)borane
CID 141274428

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-diphenylborane?
The IUPAC name of (3-methylphenyl)-diphenylborane (CID 145125944) is (3-methylphenyl)-diphenylborane.
What is the SMILES notation for (3-methylphenyl)-diphenylborane?
The canonical SMILES for (3-methylphenyl)-diphenylborane is Cc1cccc(B(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (3-methylphenyl)-diphenylborane?
The InChIKey is RGLKAYOFSYCPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17B/c1-16-9-8-14-19(15-16)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1H3.
What are the key properties of (3-methylphenyl)-diphenylborane?
(3-methylphenyl)-diphenylborane has a molecular weight of 256.16 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-diphenylborane is sourced from PubChem (CID 145125944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).