(2-cyclohexyl-3-cyclopentylphenyl)boronic acid

C17H25BO2 — CID 156779684

IUPAC(2-cyclohexyl-3-cyclopentylphenyl)boronic acid
SMILESOB(O)c1cccc(C2CCCC2)c1C1CCCCC1
InChIInChI=1S/C17H25BO2/c19-18(20)16-12-6-11-15(13-7-4-5-8-13)17(16)14-9-2-1-3-10-14/h6,11-14,19-20H,1-5,7-10H2
InChIKeyAFMZNUUKKHCION-UHFFFAOYSA-N
MW272.20 g/mol
LogP3.07
Rot. Bonds3

About (2-cyclohexyl-3-cyclopentylphenyl)boronic acid

(2-cyclohexyl-3-cyclopentylphenyl)boronic acid (PubChem CID 156779684) has the molecular formula C17H25BO2 and a molecular weight of 272.20 g/mol. Its IUPAC name is (2-cyclohexyl-3-cyclopentylphenyl)boronic acid.

Molecular Properties

Compound Name(2-cyclohexyl-3-cyclopentylphenyl)boronic acid
PubChem CID156779684
Molecular FormulaC17H25BO2
Molecular Weight272.20 g/mol
Exact Mass272.19
IUPAC Name(2-cyclohexyl-3-cyclopentylphenyl)boronic acid
SMILESOB(O)c1cccc(C2CCCC2)c1C1CCCCC1
InChIInChI=1S/C17H25BO2/c19-18(20)16-12-6-11-15(13-7-4-5-8-13)17(16)14-9-2-1-3-10-14/h6,11-14,19-20H,1-5,7-10H2
InChIKeyAFMZNUUKKHCION-UHFFFAOYSA-N
XLogP3.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 53.07
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-cyclohexyl-3-cyclopentylphenyl)boronic acid?
The IUPAC name of (2-cyclohexyl-3-cyclopentylphenyl)boronic acid (CID 156779684) is (2-cyclohexyl-3-cyclopentylphenyl)boronic acid.
What is the SMILES notation for (2-cyclohexyl-3-cyclopentylphenyl)boronic acid?
The canonical SMILES for (2-cyclohexyl-3-cyclopentylphenyl)boronic acid is OB(O)c1cccc(C2CCCC2)c1C1CCCCC1.
What is the InChIKey of (2-cyclohexyl-3-cyclopentylphenyl)boronic acid?
The InChIKey is AFMZNUUKKHCION-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BO2/c19-18(20)16-12-6-11-15(13-7-4-5-8-13)17(16)14-9-2-1-3-10-14/h6,11-14,19-20H,1-5,7-10H2.
What are the key properties of (2-cyclohexyl-3-cyclopentylphenyl)boronic acid?
(2-cyclohexyl-3-cyclopentylphenyl)boronic acid has a molecular weight of 272.20 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-3-cyclopentylphenyl)boronic acid is sourced from PubChem (CID 156779684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).