(4-naphthalen-2-ylphenyl)boronic acid

C16H13BO2 — CID 45382258

IUPAC(4-naphthalen-2-ylphenyl)boronic acid
SMILESOB(O)c1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C16H13BO2/c18-17(19)16-9-7-13(8-10-16)15-6-5-12-3-1-2-4-14(12)11-15/h1-11,18-19H
InChIKeyICQAKBYFBIWELX-UHFFFAOYSA-N
MW248.09 g/mol
LogP2.19
Rot. Bonds2

About (4-naphthalen-2-ylphenyl)boronic acid

(4-naphthalen-2-ylphenyl)boronic acid (PubChem CID 45382258) has the molecular formula C16H13BO2 and a molecular weight of 248.09 g/mol. Its IUPAC name is (4-naphthalen-2-ylphenyl)boronic acid.

Molecular Properties

Compound Name(4-naphthalen-2-ylphenyl)boronic acid
PubChem CID45382258
Molecular FormulaC16H13BO2
Molecular Weight248.09 g/mol
Exact Mass248.10
IUPAC Name(4-naphthalen-2-ylphenyl)boronic acid
SMILESOB(O)c1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C16H13BO2/c18-17(19)16-9-7-13(8-10-16)15-6-5-12-3-1-2-4-14(12)11-15/h1-11,18-19H
InChIKeyICQAKBYFBIWELX-UHFFFAOYSA-N
XLogP2.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 52.19
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 (4-naphthalen-2-ylphenyl)boronic acid?
The IUPAC name of (4-naphthalen-2-ylphenyl)boronic acid (CID 45382258) is (4-naphthalen-2-ylphenyl)boronic acid.
What is the SMILES notation for (4-naphthalen-2-ylphenyl)boronic acid?
The canonical SMILES for (4-naphthalen-2-ylphenyl)boronic acid is OB(O)c1ccc(-c2ccc3ccccc3c2)cc1.
What is the InChIKey of (4-naphthalen-2-ylphenyl)boronic acid?
The InChIKey is ICQAKBYFBIWELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BO2/c18-17(19)16-9-7-13(8-10-16)15-6-5-12-3-1-2-4-14(12)11-15/h1-11,18-19H.
What are the key properties of (4-naphthalen-2-ylphenyl)boronic acid?
(4-naphthalen-2-ylphenyl)boronic acid has a molecular weight of 248.09 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-naphthalen-2-ylphenyl)boronic acid is sourced from PubChem (CID 45382258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).