(2-ethylphenyl)-diphenylborane

C20H19B — CID 141154731

IUPAC(2-ethylphenyl)-diphenylborane
SMILESCCc1ccccc1B(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19B/c1-2-17-11-9-10-16-20(17)21(18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-16H,2H2,1H3
InChIKeyZGCYBHDDHYBGTA-UHFFFAOYSA-N
MW270.18 g/mol
LogP2.77
Rot. Bonds4

About (2-ethylphenyl)-diphenylborane

(2-ethylphenyl)-diphenylborane (PubChem CID 141154731) has the molecular formula C20H19B and a molecular weight of 270.18 g/mol. Its IUPAC name is (2-ethylphenyl)-diphenylborane.

Molecular Properties

Compound Name(2-ethylphenyl)-diphenylborane
PubChem CID141154731
Molecular FormulaC20H19B
Molecular Weight270.18 g/mol
Exact Mass270.16
IUPAC Name(2-ethylphenyl)-diphenylborane
SMILESCCc1ccccc1B(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19B/c1-2-17-11-9-10-16-20(17)21(18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-16H,2H2,1H3
InChIKeyZGCYBHDDHYBGTA-UHFFFAOYSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.18
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 14535009
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CID 82294284
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Frequently Asked Questions

What is the IUPAC name of (2-ethylphenyl)-diphenylborane?
The IUPAC name of (2-ethylphenyl)-diphenylborane (CID 141154731) is (2-ethylphenyl)-diphenylborane.
What is the SMILES notation for (2-ethylphenyl)-diphenylborane?
The canonical SMILES for (2-ethylphenyl)-diphenylborane is CCc1ccccc1B(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-ethylphenyl)-diphenylborane?
The InChIKey is ZGCYBHDDHYBGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19B/c1-2-17-11-9-10-16-20(17)21(18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-16H,2H2,1H3.
What are the key properties of (2-ethylphenyl)-diphenylborane?
(2-ethylphenyl)-diphenylborane has a molecular weight of 270.18 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenyl)-diphenylborane is sourced from PubChem (CID 141154731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).