(2-methoxy-1H-naphthalen-2-yl)boronic acid

C11H13BO3 — CID 154244823

IUPAC(2-methoxy-1H-naphthalen-2-yl)boronic acid
SMILESCOC1(B(O)O)C=Cc2ccccc2C1
InChIInChI=1S/C11H13BO3/c1-15-11(12(13)14)7-6-9-4-2-3-5-10(9)8-11/h2-7,13-14H,8H2,1H3
InChIKeyGGTVCMFWNUNBGL-UHFFFAOYSA-N
MW204.03 g/mol
LogP0.65
Rot. Bonds2

About (2-methoxy-1H-naphthalen-2-yl)boronic acid

(2-methoxy-1H-naphthalen-2-yl)boronic acid (PubChem CID 154244823) has the molecular formula C11H13BO3 and a molecular weight of 204.03 g/mol. Its IUPAC name is (2-methoxy-1H-naphthalen-2-yl)boronic acid.

Molecular Properties

Compound Name(2-methoxy-1H-naphthalen-2-yl)boronic acid
PubChem CID154244823
Molecular FormulaC11H13BO3
Molecular Weight204.03 g/mol
Exact Mass204.10
IUPAC Name(2-methoxy-1H-naphthalen-2-yl)boronic acid
SMILESCOC1(B(O)O)C=Cc2ccccc2C1
InChIInChI=1S/C11H13BO3/c1-15-11(12(13)14)7-6-9-4-2-3-5-10(9)8-11/h2-7,13-14H,8H2,1H3
InChIKeyGGTVCMFWNUNBGL-UHFFFAOYSA-N
XLogP0.65
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.03
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (2-methoxy-1H-naphthalen-2-yl)boronic acid?
The IUPAC name of (2-methoxy-1H-naphthalen-2-yl)boronic acid (CID 154244823) is (2-methoxy-1H-naphthalen-2-yl)boronic acid.
What is the SMILES notation for (2-methoxy-1H-naphthalen-2-yl)boronic acid?
The canonical SMILES for (2-methoxy-1H-naphthalen-2-yl)boronic acid is COC1(B(O)O)C=Cc2ccccc2C1.
What is the InChIKey of (2-methoxy-1H-naphthalen-2-yl)boronic acid?
The InChIKey is GGTVCMFWNUNBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BO3/c1-15-11(12(13)14)7-6-9-4-2-3-5-10(9)8-11/h2-7,13-14H,8H2,1H3.
What are the key properties of (2-methoxy-1H-naphthalen-2-yl)boronic acid?
(2-methoxy-1H-naphthalen-2-yl)boronic acid has a molecular weight of 204.03 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-1H-naphthalen-2-yl)boronic acid is sourced from PubChem (CID 154244823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).