(2-naphthalen-2-ylphenoxy)boronic acid

C16H13BO3 — CID 150538164

IUPAC(2-naphthalen-2-ylphenoxy)boronic acid
SMILESOB(O)Oc1ccccc1-c1ccc2ccccc2c1
InChIInChI=1S/C16H13BO3/c18-17(19)20-16-8-4-3-7-15(16)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,18-19H
InChIKeyIFHJRMXASNHXCD-UHFFFAOYSA-N
MW264.09 g/mol
LogP2.86
Rot. Bonds3

About (2-naphthalen-2-ylphenoxy)boronic acid

(2-naphthalen-2-ylphenoxy)boronic acid (PubChem CID 150538164) has the molecular formula C16H13BO3 and a molecular weight of 264.09 g/mol. Its IUPAC name is (2-naphthalen-2-ylphenoxy)boronic acid.

Molecular Properties

Compound Name(2-naphthalen-2-ylphenoxy)boronic acid
PubChem CID150538164
Molecular FormulaC16H13BO3
Molecular Weight264.09 g/mol
Exact Mass264.10
IUPAC Name(2-naphthalen-2-ylphenoxy)boronic acid
SMILESOB(O)Oc1ccccc1-c1ccc2ccccc2c1
InChIInChI=1S/C16H13BO3/c18-17(19)20-16-8-4-3-7-15(16)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,18-19H
InChIKeyIFHJRMXASNHXCD-UHFFFAOYSA-N
XLogP2.86
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-naphthalen-2-ylphenoxy)boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-naphthalen-2-ylphenoxy)acetic acid
CID 139923485
[2-(4-naphthalen-2-ylphenyl)phenyl] hydrogen carbonate
CID 66629221
2-(2-hydroxy-3-naphthalen-2-ylphenyl)-6-naphthalen-2-ylphenol
CID 24741043
(3-hydroxynaphthalen-2-yl)oxyboronic acid
CID 142698504
[2-(2-naphthalen-2-ylphenyl)phenyl] trifluoromethanesulfonate
CID 132606707
2-[2-(cyclopentylmethoxy)phenyl]naphthalene
CID 91262762
(2,3-dinaphthalen-2-ylphenyl) dihydrogen phosphate
CID 68585112
2-[2-(4-bromophenyl)phenyl]naphthalene
CID 134433047
2-[2-(2-naphthalen-2-ylphenyl)sulfanylphenyl]naphthalene
CID 67159688
2-[2-[4-(4-chlorophenyl)phenyl]phenyl]naphthalene
CID 178067173
azane;2-(2,3-dimethylphenyl)naphthalene
CID 175360237
2-amino-3-naphthalen-2-ylphenol
CID 175155889

Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-2-ylphenoxy)boronic acid?
The IUPAC name of (2-naphthalen-2-ylphenoxy)boronic acid (CID 150538164) is (2-naphthalen-2-ylphenoxy)boronic acid.
What is the SMILES notation for (2-naphthalen-2-ylphenoxy)boronic acid?
The canonical SMILES for (2-naphthalen-2-ylphenoxy)boronic acid is OB(O)Oc1ccccc1-c1ccc2ccccc2c1.
What is the InChIKey of (2-naphthalen-2-ylphenoxy)boronic acid?
The InChIKey is IFHJRMXASNHXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BO3/c18-17(19)20-16-8-4-3-7-15(16)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,18-19H.
What are the key properties of (2-naphthalen-2-ylphenoxy)boronic acid?
(2-naphthalen-2-ylphenoxy)boronic acid has a molecular weight of 264.09 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-naphthalen-2-ylphenoxy)boronic acid is sourced from PubChem (CID 150538164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).