(3-cyclopentylphenyl)boronic acid

C11H15BO2 — CID 68785037

IUPAC(3-cyclopentylphenyl)boronic acid
SMILESOB(O)c1cccc(C2CCCC2)c1
InChIInChI=1S/C11H15BO2/c13-12(14)11-7-3-6-10(8-11)9-4-1-2-5-9/h3,6-9,13-14H,1-2,4-5H2
InChIKeySMEMIYZABKVOFJ-UHFFFAOYSA-N
MW190.05 g/mol
LogP1.02
Rot. Bonds2

About (3-cyclopentylphenyl)boronic acid

(3-cyclopentylphenyl)boronic acid (PubChem CID 68785037) has the molecular formula C11H15BO2 and a molecular weight of 190.05 g/mol. Its IUPAC name is (3-cyclopentylphenyl)boronic acid.

Molecular Properties

Compound Name(3-cyclopentylphenyl)boronic acid
PubChem CID68785037
Molecular FormulaC11H15BO2
Molecular Weight190.05 g/mol
Exact Mass190.12
IUPAC Name(3-cyclopentylphenyl)boronic acid
SMILESOB(O)c1cccc(C2CCCC2)c1
InChIInChI=1S/C11H15BO2/c13-12(14)11-7-3-6-10(8-11)9-4-1-2-5-9/h3,6-9,13-14H,1-2,4-5H2
InChIKeySMEMIYZABKVOFJ-UHFFFAOYSA-N
XLogP1.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.05
LogP ≤ 51.02
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 (3-cyclopentylphenyl)boronic acid?
The IUPAC name of (3-cyclopentylphenyl)boronic acid (CID 68785037) is (3-cyclopentylphenyl)boronic acid.
What is the SMILES notation for (3-cyclopentylphenyl)boronic acid?
The canonical SMILES for (3-cyclopentylphenyl)boronic acid is OB(O)c1cccc(C2CCCC2)c1.
What is the InChIKey of (3-cyclopentylphenyl)boronic acid?
The InChIKey is SMEMIYZABKVOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BO2/c13-12(14)11-7-3-6-10(8-11)9-4-1-2-5-9/h3,6-9,13-14H,1-2,4-5H2.
What are the key properties of (3-cyclopentylphenyl)boronic acid?
(3-cyclopentylphenyl)boronic acid has a molecular weight of 190.05 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopentylphenyl)boronic acid is sourced from PubChem (CID 68785037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).