(4-ethylphenyl)-dipropylborane

C14H23B — CID 143880159

IUPAC(4-ethylphenyl)-dipropylborane
SMILESCCCB(CCC)c1ccc(CC)cc1
InChIInChI=1S/C14H23B/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h7-10H,4-6,11-12H2,1-3H3
InChIKeyMYDXGGFGVBUSCJ-UHFFFAOYSA-N
MW202.15 g/mol
LogP3.77
Rot. Bonds6

About (4-ethylphenyl)-dipropylborane

(4-ethylphenyl)-dipropylborane (PubChem CID 143880159) has the molecular formula C14H23B and a molecular weight of 202.15 g/mol. Its IUPAC name is (4-ethylphenyl)-dipropylborane.

Molecular Properties

Compound Name(4-ethylphenyl)-dipropylborane
PubChem CID143880159
Molecular FormulaC14H23B
Molecular Weight202.15 g/mol
Exact Mass202.19
IUPAC Name(4-ethylphenyl)-dipropylborane
SMILESCCCB(CCC)c1ccc(CC)cc1
InChIInChI=1S/C14H23B/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h7-10H,4-6,11-12H2,1-3H3
InChIKeyMYDXGGFGVBUSCJ-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.15
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4-ethylphenyl)-dipropylborane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-dipropylborane?
The IUPAC name of (4-ethylphenyl)-dipropylborane (CID 143880159) is (4-ethylphenyl)-dipropylborane.
What is the SMILES notation for (4-ethylphenyl)-dipropylborane?
The canonical SMILES for (4-ethylphenyl)-dipropylborane is CCCB(CCC)c1ccc(CC)cc1.
What is the InChIKey of (4-ethylphenyl)-dipropylborane?
The InChIKey is MYDXGGFGVBUSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23B/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of (4-ethylphenyl)-dipropylborane?
(4-ethylphenyl)-dipropylborane has a molecular weight of 202.15 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-dipropylborane is sourced from PubChem (CID 143880159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).