(2,4-dicyclopentylphenyl)boronic acid

C16H23BO2 — CID 68785233

IUPAC(2,4-dicyclopentylphenyl)boronic acid
SMILESOB(O)c1ccc(C2CCCC2)cc1C1CCCC1
InChIInChI=1S/C16H23BO2/c18-17(19)16-10-9-14(12-5-1-2-6-12)11-15(16)13-7-3-4-8-13/h9-13,18-19H,1-8H2
InChIKeyDFUXJSOFOSPGHM-UHFFFAOYSA-N
MW258.17 g/mol
LogP2.68
Rot. Bonds3

About (2,4-dicyclopentylphenyl)boronic acid

(2,4-dicyclopentylphenyl)boronic acid (PubChem CID 68785233) has the molecular formula C16H23BO2 and a molecular weight of 258.17 g/mol. Its IUPAC name is (2,4-dicyclopentylphenyl)boronic acid.

Molecular Properties

Compound Name(2,4-dicyclopentylphenyl)boronic acid
PubChem CID68785233
Molecular FormulaC16H23BO2
Molecular Weight258.17 g/mol
Exact Mass258.18
IUPAC Name(2,4-dicyclopentylphenyl)boronic acid
SMILESOB(O)c1ccc(C2CCCC2)cc1C1CCCC1
InChIInChI=1S/C16H23BO2/c18-17(19)16-10-9-14(12-5-1-2-6-12)11-15(16)13-7-3-4-8-13/h9-13,18-19H,1-8H2
InChIKeyDFUXJSOFOSPGHM-UHFFFAOYSA-N
XLogP2.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.17
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (2,4-dicyclopentylphenyl)boronic acid?
The IUPAC name of (2,4-dicyclopentylphenyl)boronic acid (CID 68785233) is (2,4-dicyclopentylphenyl)boronic acid.
What is the SMILES notation for (2,4-dicyclopentylphenyl)boronic acid?
The canonical SMILES for (2,4-dicyclopentylphenyl)boronic acid is OB(O)c1ccc(C2CCCC2)cc1C1CCCC1.
What is the InChIKey of (2,4-dicyclopentylphenyl)boronic acid?
The InChIKey is DFUXJSOFOSPGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BO2/c18-17(19)16-10-9-14(12-5-1-2-6-12)11-15(16)13-7-3-4-8-13/h9-13,18-19H,1-8H2.
What are the key properties of (2,4-dicyclopentylphenyl)boronic acid?
(2,4-dicyclopentylphenyl)boronic acid has a molecular weight of 258.17 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dicyclopentylphenyl)boronic acid is sourced from PubChem (CID 68785233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).