naphthalen-1-ylboronic acid;phenylboronic acid

C16H16B2O4 — CID 68865440

IUPACnaphthalen-1-ylboronic acid;phenylboronic acid
SMILESOB(O)c1cccc2ccccc12.OB(O)c1ccccc1
InChIInChI=1S/C10H9BO2.C6H7BO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;8-7(9)6-4-2-1-3-5-6/h1-7,12-13H;1-5,8-9H
InChIKeyOWJXTQRIHCTGBZ-UHFFFAOYSA-N
MW293.92 g/mol
LogP-0.11
Rot. Bonds2

About naphthalen-1-ylboronic acid;phenylboronic acid

naphthalen-1-ylboronic acid;phenylboronic acid (PubChem CID 68865440) has the molecular formula C16H16B2O4 and a molecular weight of 293.92 g/mol. Its IUPAC name is naphthalen-1-ylboronic acid;phenylboronic acid.

Molecular Properties

Compound Namenaphthalen-1-ylboronic acid;phenylboronic acid
PubChem CID68865440
Molecular FormulaC16H16B2O4
Molecular Weight293.92 g/mol
Exact Mass294.12
IUPAC Namenaphthalen-1-ylboronic acid;phenylboronic acid
SMILESOB(O)c1cccc2ccccc12.OB(O)c1ccccc1
InChIInChI=1S/C10H9BO2.C6H7BO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;8-7(9)6-4-2-1-3-5-6/h1-7,12-13H;1-5,8-9H
InChIKeyOWJXTQRIHCTGBZ-UHFFFAOYSA-N
XLogP-0.11
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.92
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl-naphthalen-1-yl-phenylborane
CID 20646116
ethane;phenylboronic acid
CID 54560949
(2-naphthalen-1-ylphenyl)boronic acid
CID 66736681
[4-(dinaphthalen-1-ylamino)naphthalen-1-yl]boronic acid
CID 175216428
phenylboronic acid;propan-2-one
CID 175374589
diphenylborinic acid;ethane;phenylboronic acid
CID 158022029
[6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]boronic acid
CID 140786550
[2-[naphthalen-1-yl(phenanthren-9-yl)amino]phenyl]boronic acid
CID 141468575
(10-naphthalen-1-ylanthracen-1-yl)boronic acid
CID 154381135
9-bromoanthracene;9-naphthalen-1-ylanthracene;naphthalen-1-ylboronic acid
CID 158003519
isoquinolin-5-ylboronic acid
CID 599474
2-borononaphthalene-1-carboxylic acid
CID 67024077

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylboronic acid;phenylboronic acid?
The IUPAC name of naphthalen-1-ylboronic acid;phenylboronic acid (CID 68865440) is naphthalen-1-ylboronic acid;phenylboronic acid.
What is the SMILES notation for naphthalen-1-ylboronic acid;phenylboronic acid?
The canonical SMILES for naphthalen-1-ylboronic acid;phenylboronic acid is OB(O)c1cccc2ccccc12.OB(O)c1ccccc1.
What is the InChIKey of naphthalen-1-ylboronic acid;phenylboronic acid?
The InChIKey is OWJXTQRIHCTGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BO2.C6H7BO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;8-7(9)6-4-2-1-3-5-6/h1-7,12-13H;1-5,8-9H.
What are the key properties of naphthalen-1-ylboronic acid;phenylboronic acid?
naphthalen-1-ylboronic acid;phenylboronic acid has a molecular weight of 293.92 g/mol, XLogP of -0.11, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylboronic acid;phenylboronic acid is sourced from PubChem (CID 68865440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).