(4-nonylphenyl)boronic acid

C15H25BO2 — CID 4589192

IUPAC(4-nonylphenyl)boronic acid
SMILESCCCCCCCCCc1ccc(B(O)O)cc1
InChIInChI=1S/C15H25BO2/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18/h10-13,17-18H,2-9H2,1H3
InChIKeyVONVJOGSLHAKOX-UHFFFAOYSA-N
MW248.18 g/mol
LogP2.66
Rot. Bonds9

About (4-nonylphenyl)boronic acid

(4-nonylphenyl)boronic acid (PubChem CID 4589192) has the molecular formula C15H25BO2 and a molecular weight of 248.18 g/mol. Its IUPAC name is (4-nonylphenyl)boronic acid.

Molecular Properties

Compound Name(4-nonylphenyl)boronic acid
PubChem CID4589192
Molecular FormulaC15H25BO2
Molecular Weight248.18 g/mol
Exact Mass248.19
IUPAC Name(4-nonylphenyl)boronic acid
SMILESCCCCCCCCCc1ccc(B(O)O)cc1
InChIInChI=1S/C15H25BO2/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18/h10-13,17-18H,2-9H2,1H3
InChIKeyVONVJOGSLHAKOX-UHFFFAOYSA-N
XLogP2.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.18
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-nonylphenyl)boronic acid?
The IUPAC name of (4-nonylphenyl)boronic acid (CID 4589192) is (4-nonylphenyl)boronic acid.
What is the SMILES notation for (4-nonylphenyl)boronic acid?
The canonical SMILES for (4-nonylphenyl)boronic acid is CCCCCCCCCc1ccc(B(O)O)cc1.
What is the InChIKey of (4-nonylphenyl)boronic acid?
The InChIKey is VONVJOGSLHAKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BO2/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18/h10-13,17-18H,2-9H2,1H3.
What are the key properties of (4-nonylphenyl)boronic acid?
(4-nonylphenyl)boronic acid has a molecular weight of 248.18 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nonylphenyl)boronic acid is sourced from PubChem (CID 4589192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).