(7-phenylnaphthalen-2-yl)boronic acid

C16H13BO2 — CID 58461088

IUPAC(7-phenylnaphthalen-2-yl)boronic acid
SMILESOB(O)c1ccc2ccc(-c3ccccc3)cc2c1
InChIInChI=1S/C16H13BO2/c18-17(19)16-9-8-13-6-7-14(10-15(13)11-16)12-4-2-1-3-5-12/h1-11,18-19H
InChIKeyGQXDHXDVXQGQJT-UHFFFAOYSA-N
MW248.09 g/mol
LogP2.19
Rot. Bonds2

About (7-phenylnaphthalen-2-yl)boronic acid

(7-phenylnaphthalen-2-yl)boronic acid (PubChem CID 58461088) has the molecular formula C16H13BO2 and a molecular weight of 248.09 g/mol. Its IUPAC name is (7-phenylnaphthalen-2-yl)boronic acid.

Molecular Properties

Compound Name(7-phenylnaphthalen-2-yl)boronic acid
PubChem CID58461088
Molecular FormulaC16H13BO2
Molecular Weight248.09 g/mol
Exact Mass248.10
IUPAC Name(7-phenylnaphthalen-2-yl)boronic acid
SMILESOB(O)c1ccc2ccc(-c3ccccc3)cc2c1
InChIInChI=1S/C16H13BO2/c18-17(19)16-9-8-13-6-7-14(10-15(13)11-16)12-4-2-1-3-5-12/h1-11,18-19H
InChIKeyGQXDHXDVXQGQJT-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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Related Compounds

[3-(4-phenylphenyl)phenyl]boronic acid
CID 71235180
[7-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]boronic acid
CID 172536059
[6-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]boronic acid
CID 86216082
ethane;[3-(3-phenylphenyl)phenyl]boronic acid
CID 143904580
2,7-diphenylanthracene
CID 154020316
[6-(4-trimethylsilylphenyl)naphthalen-2-yl]boronic acid
CID 142699769
2-(4-methylphenyl)-7-phenylnaphthalene
CID 155763940
2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene
CID 143886275
(6-dibenzofuran-2-ylnaphthalen-2-yl)boronic acid
CID 67422872
(5,6-diphenylnaphthalen-2-yl)boronic acid
CID 150248709
[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]boronic acid
CID 170691102
2,7-dibromo-5,10-diphenylindolo[3,2-b]indole;2,7-dinaphthalen-2-yl-5,10-diphenylindolo[3,2-b]indole;naphthalen-2-ylboronic acid
CID 158748716

Frequently Asked Questions

What is the IUPAC name of (7-phenylnaphthalen-2-yl)boronic acid?
The IUPAC name of (7-phenylnaphthalen-2-yl)boronic acid (CID 58461088) is (7-phenylnaphthalen-2-yl)boronic acid.
What is the SMILES notation for (7-phenylnaphthalen-2-yl)boronic acid?
The canonical SMILES for (7-phenylnaphthalen-2-yl)boronic acid is OB(O)c1ccc2ccc(-c3ccccc3)cc2c1.
What is the InChIKey of (7-phenylnaphthalen-2-yl)boronic acid?
The InChIKey is GQXDHXDVXQGQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BO2/c18-17(19)16-9-8-13-6-7-14(10-15(13)11-16)12-4-2-1-3-5-12/h1-11,18-19H.
What are the key properties of (7-phenylnaphthalen-2-yl)boronic acid?
(7-phenylnaphthalen-2-yl)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 (7-phenylnaphthalen-2-yl)boronic acid is sourced from PubChem (CID 58461088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).