(2-hydroxynaphthalen-1-yl)oxyboronic acid

C10H9BO4 — CID 54264761

IUPAC(2-hydroxynaphthalen-1-yl)oxyboronic acid
SMILESOB(O)Oc1c(O)ccc2ccccc12
InChIInChI=1S/C10H9BO4/c12-9-6-5-7-3-1-2-4-8(7)10(9)15-11(13)14/h1-6,12-14H
InChIKeyRFZCUTBTOSQNJS-UHFFFAOYSA-N
MW203.99 g/mol
LogP0.89
Rot. Bonds2

About (2-hydroxynaphthalen-1-yl)oxyboronic acid

(2-hydroxynaphthalen-1-yl)oxyboronic acid (PubChem CID 54264761) has the molecular formula C10H9BO4 and a molecular weight of 203.99 g/mol. Its IUPAC name is (2-hydroxynaphthalen-1-yl)oxyboronic acid.

Molecular Properties

Compound Name(2-hydroxynaphthalen-1-yl)oxyboronic acid
PubChem CID54264761
Molecular FormulaC10H9BO4
Molecular Weight203.99 g/mol
Exact Mass204.06
IUPAC Name(2-hydroxynaphthalen-1-yl)oxyboronic acid
SMILESOB(O)Oc1c(O)ccc2ccccc12
InChIInChI=1S/C10H9BO4/c12-9-6-5-7-3-1-2-4-8(7)10(9)15-11(13)14/h1-6,12-14H
InChIKeyRFZCUTBTOSQNJS-UHFFFAOYSA-N
XLogP0.89
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.99
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-hydroxynaphthalen-1-yl)oxyboronic acid?
The IUPAC name of (2-hydroxynaphthalen-1-yl)oxyboronic acid (CID 54264761) is (2-hydroxynaphthalen-1-yl)oxyboronic acid.
What is the SMILES notation for (2-hydroxynaphthalen-1-yl)oxyboronic acid?
The canonical SMILES for (2-hydroxynaphthalen-1-yl)oxyboronic acid is OB(O)Oc1c(O)ccc2ccccc12.
What is the InChIKey of (2-hydroxynaphthalen-1-yl)oxyboronic acid?
The InChIKey is RFZCUTBTOSQNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BO4/c12-9-6-5-7-3-1-2-4-8(7)10(9)15-11(13)14/h1-6,12-14H.
What are the key properties of (2-hydroxynaphthalen-1-yl)oxyboronic acid?
(2-hydroxynaphthalen-1-yl)oxyboronic acid has a molecular weight of 203.99 g/mol, XLogP of 0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxynaphthalen-1-yl)oxyboronic acid is sourced from PubChem (CID 54264761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).