[6-(2-hydroxyethoxy)naphthalen-2-yl]boronic acid

C12H13BO4 — CID 67996313

IUPAC[6-(2-hydroxyethoxy)naphthalen-2-yl]boronic acid
SMILESOCCOc1ccc2cc(B(O)O)ccc2c1
InChIInChI=1S/C12H13BO4/c14-5-6-17-12-4-2-9-7-11(13(15)16)3-1-10(9)8-12/h1-4,7-8,14-16H,5-6H2
InChIKeyPALSTPQPNZASDD-UHFFFAOYSA-N
MW232.04 g/mol
LogP-0.11
Rot. Bonds4

About [6-(2-hydroxyethoxy)naphthalen-2-yl]boronic acid

[6-(2-hydroxyethoxy)naphthalen-2-yl]boronic acid (PubChem CID 67996313) has the molecular formula C12H13BO4 and a molecular weight of 232.04 g/mol. Its IUPAC name is [6-(2-hydroxyethoxy)naphthalen-2-yl]boronic acid.

Molecular Properties

Compound Name[6-(2-hydroxyethoxy)naphthalen-2-yl]boronic acid
PubChem CID67996313
Molecular FormulaC12H13BO4
Molecular Weight232.04 g/mol
Exact Mass232.09
IUPAC Name[6-(2-hydroxyethoxy)naphthalen-2-yl]boronic acid
SMILESOCCOc1ccc2cc(B(O)O)ccc2c1
InChIInChI=1S/C12H13BO4/c14-5-6-17-12-4-2-9-7-11(13(15)16)3-1-10(9)8-12/h1-4,7-8,14-16H,5-6H2
InChIKeyPALSTPQPNZASDD-UHFFFAOYSA-N
XLogP-0.11
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.04
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol
CID 138483629
[6-(3-ethoxypropoxy)naphthalen-2-yl]boronic acid
CID 65175268
[6-(2,2-dimethylpropoxy)naphthalen-2-yl]boronic acid
CID 154732260
11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol
CID 86182037
3-[7-(3-hydroxypropoxy)naphthalen-2-yl]oxypropan-1-ol
CID 118363614
[6-(2-methylpentoxy)naphthalen-2-yl]boronic acid
CID 63549209
2-(4-dimethylboranylphenoxy)ethanol
CID 58852404
[6-(oxan-4-ylmethoxy)naphthalen-2-yl]boronic acid
CID 62386802
4-(6-ethoxynaphthalen-2-yl)oxybutan-1-ol
CID 126699424
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
CID 162335780
CID 162335780
8-[6-(4-methylphenyl)naphthalen-2-yl]oxyoctan-1-ol
CID 142809566

Frequently Asked Questions

What is the IUPAC name of [6-(2-hydroxyethoxy)naphthalen-2-yl]boronic acid?
The IUPAC name of [6-(2-hydroxyethoxy)naphthalen-2-yl]boronic acid (CID 67996313) is [6-(2-hydroxyethoxy)naphthalen-2-yl]boronic acid.
What is the SMILES notation for [6-(2-hydroxyethoxy)naphthalen-2-yl]boronic acid?
The canonical SMILES for [6-(2-hydroxyethoxy)naphthalen-2-yl]boronic acid is OCCOc1ccc2cc(B(O)O)ccc2c1.
What is the InChIKey of [6-(2-hydroxyethoxy)naphthalen-2-yl]boronic acid?
The InChIKey is PALSTPQPNZASDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BO4/c14-5-6-17-12-4-2-9-7-11(13(15)16)3-1-10(9)8-12/h1-4,7-8,14-16H,5-6H2.
What are the key properties of [6-(2-hydroxyethoxy)naphthalen-2-yl]boronic acid?
[6-(2-hydroxyethoxy)naphthalen-2-yl]boronic acid has a molecular weight of 232.04 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-hydroxyethoxy)naphthalen-2-yl]boronic acid is sourced from PubChem (CID 67996313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).