(1-methylnaphthalen-2-yl)boronic acid

C11H11BO2 — CID 45116893

IUPAC(1-methylnaphthalen-2-yl)boronic acid
SMILESCc1c(B(O)O)ccc2ccccc12
InChIInChI=1S/C11H11BO2/c1-8-10-5-3-2-4-9(10)6-7-11(8)12(13)14/h2-7,13-14H,1H3
InChIKeyWRMHOUYVGICNFF-UHFFFAOYSA-N
MW186.02 g/mol
LogP0.83
Rot. Bonds1

About (1-methylnaphthalen-2-yl)boronic acid

(1-methylnaphthalen-2-yl)boronic acid (PubChem CID 45116893) has the molecular formula C11H11BO2 and a molecular weight of 186.02 g/mol. Its IUPAC name is (1-methylnaphthalen-2-yl)boronic acid.

Molecular Properties

Compound Name(1-methylnaphthalen-2-yl)boronic acid
PubChem CID45116893
Molecular FormulaC11H11BO2
Molecular Weight186.02 g/mol
Exact Mass186.09
IUPAC Name(1-methylnaphthalen-2-yl)boronic acid
SMILESCc1c(B(O)O)ccc2ccccc12
InChIInChI=1S/C11H11BO2/c1-8-10-5-3-2-4-9(10)6-7-11(8)12(13)14/h2-7,13-14H,1H3
InChIKeyWRMHOUYVGICNFF-UHFFFAOYSA-N
XLogP0.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.02
LogP ≤ 50.83
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 (1-methylnaphthalen-2-yl)boronic acid?
The IUPAC name of (1-methylnaphthalen-2-yl)boronic acid (CID 45116893) is (1-methylnaphthalen-2-yl)boronic acid.
What is the SMILES notation for (1-methylnaphthalen-2-yl)boronic acid?
The canonical SMILES for (1-methylnaphthalen-2-yl)boronic acid is Cc1c(B(O)O)ccc2ccccc12.
What is the InChIKey of (1-methylnaphthalen-2-yl)boronic acid?
The InChIKey is WRMHOUYVGICNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BO2/c1-8-10-5-3-2-4-9(10)6-7-11(8)12(13)14/h2-7,13-14H,1H3.
What are the key properties of (1-methylnaphthalen-2-yl)boronic acid?
(1-methylnaphthalen-2-yl)boronic acid has a molecular weight of 186.02 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylnaphthalen-2-yl)boronic acid is sourced from PubChem (CID 45116893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).