(4-cyclopentyloxyphenyl)boronic acid

C11H15BO3 — CID 23005412

IUPAC(4-cyclopentyloxyphenyl)boronic acid
SMILESOB(O)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C11H15BO3/c13-12(14)9-5-7-11(8-6-9)15-10-3-1-2-4-10/h5-8,10,13-14H,1-4H2
InChIKeyAAMPOFTVRYFQCX-UHFFFAOYSA-N
MW206.05 g/mol
LogP0.69
Rot. Bonds3

About (4-cyclopentyloxyphenyl)boronic acid

(4-cyclopentyloxyphenyl)boronic acid (PubChem CID 23005412) has the molecular formula C11H15BO3 and a molecular weight of 206.05 g/mol. Its IUPAC name is (4-cyclopentyloxyphenyl)boronic acid.

Molecular Properties

Compound Name(4-cyclopentyloxyphenyl)boronic acid
PubChem CID23005412
Molecular FormulaC11H15BO3
Molecular Weight206.05 g/mol
Exact Mass206.11
IUPAC Name(4-cyclopentyloxyphenyl)boronic acid
SMILESOB(O)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C11H15BO3/c13-12(14)9-5-7-11(8-6-9)15-10-3-1-2-4-10/h5-8,10,13-14H,1-4H2
InChIKeyAAMPOFTVRYFQCX-UHFFFAOYSA-N
XLogP0.69
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.05
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (4-cyclopentyloxyphenyl)boronic acid?
The IUPAC name of (4-cyclopentyloxyphenyl)boronic acid (CID 23005412) is (4-cyclopentyloxyphenyl)boronic acid.
What is the SMILES notation for (4-cyclopentyloxyphenyl)boronic acid?
The canonical SMILES for (4-cyclopentyloxyphenyl)boronic acid is OB(O)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of (4-cyclopentyloxyphenyl)boronic acid?
The InChIKey is AAMPOFTVRYFQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BO3/c13-12(14)9-5-7-11(8-6-9)15-10-3-1-2-4-10/h5-8,10,13-14H,1-4H2.
What are the key properties of (4-cyclopentyloxyphenyl)boronic acid?
(4-cyclopentyloxyphenyl)boronic acid has a molecular weight of 206.05 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentyloxyphenyl)boronic acid is sourced from PubChem (CID 23005412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).