(3-methylnaphthalen-1-yl)oxyboronic acid

C11H11BO3 — CID 150524774

IUPAC(3-methylnaphthalen-1-yl)oxyboronic acid
SMILESCc1cc(OB(O)O)c2ccccc2c1
InChIInChI=1S/C11H11BO3/c1-8-6-9-4-2-3-5-10(9)11(7-8)15-12(13)14/h2-7,13-14H,1H3
InChIKeyHJUYPPGUKMHYSC-UHFFFAOYSA-N
MW202.02 g/mol
LogP1.50
Rot. Bonds2

About (3-methylnaphthalen-1-yl)oxyboronic acid

(3-methylnaphthalen-1-yl)oxyboronic acid (PubChem CID 150524774) has the molecular formula C11H11BO3 and a molecular weight of 202.02 g/mol. Its IUPAC name is (3-methylnaphthalen-1-yl)oxyboronic acid.

Molecular Properties

Compound Name(3-methylnaphthalen-1-yl)oxyboronic acid
PubChem CID150524774
Molecular FormulaC11H11BO3
Molecular Weight202.02 g/mol
Exact Mass202.08
IUPAC Name(3-methylnaphthalen-1-yl)oxyboronic acid
SMILESCc1cc(OB(O)O)c2ccccc2c1
InChIInChI=1S/C11H11BO3/c1-8-6-9-4-2-3-5-10(9)11(7-8)15-12(13)14/h2-7,13-14H,1H3
InChIKeyHJUYPPGUKMHYSC-UHFFFAOYSA-N
XLogP1.50
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.02
LogP ≤ 51.50
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 (3-methylnaphthalen-1-yl)oxyboronic acid?
The IUPAC name of (3-methylnaphthalen-1-yl)oxyboronic acid (CID 150524774) is (3-methylnaphthalen-1-yl)oxyboronic acid.
What is the SMILES notation for (3-methylnaphthalen-1-yl)oxyboronic acid?
The canonical SMILES for (3-methylnaphthalen-1-yl)oxyboronic acid is Cc1cc(OB(O)O)c2ccccc2c1.
What is the InChIKey of (3-methylnaphthalen-1-yl)oxyboronic acid?
The InChIKey is HJUYPPGUKMHYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BO3/c1-8-6-9-4-2-3-5-10(9)11(7-8)15-12(13)14/h2-7,13-14H,1H3.
What are the key properties of (3-methylnaphthalen-1-yl)oxyboronic acid?
(3-methylnaphthalen-1-yl)oxyboronic acid has a molecular weight of 202.02 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylnaphthalen-1-yl)oxyboronic acid is sourced from PubChem (CID 150524774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).