[2-(hydroxymethyl)naphthalen-1-yl]boronic acid

C11H11BO3 — CID 141383455

IUPAC[2-(hydroxymethyl)naphthalen-1-yl]boronic acid
SMILESOCc1ccc2ccccc2c1B(O)O
InChIInChI=1S/C11H11BO3/c13-7-9-6-5-8-3-1-2-4-10(8)11(9)12(14)15/h1-6,13-15H,7H2
InChIKeySQBQAXYGUKOIKN-UHFFFAOYSA-N
MW202.02 g/mol
LogP0.01
Rot. Bonds2

About [2-(hydroxymethyl)naphthalen-1-yl]boronic acid

[2-(hydroxymethyl)naphthalen-1-yl]boronic acid (PubChem CID 141383455) has the molecular formula C11H11BO3 and a molecular weight of 202.02 g/mol. Its IUPAC name is [2-(hydroxymethyl)naphthalen-1-yl]boronic acid.

Molecular Properties

Compound Name[2-(hydroxymethyl)naphthalen-1-yl]boronic acid
PubChem CID141383455
Molecular FormulaC11H11BO3
Molecular Weight202.02 g/mol
Exact Mass202.08
IUPAC Name[2-(hydroxymethyl)naphthalen-1-yl]boronic acid
SMILESOCc1ccc2ccccc2c1B(O)O
InChIInChI=1S/C11H11BO3/c13-7-9-6-5-8-3-1-2-4-10(8)11(9)12(14)15/h1-6,13-15H,7H2
InChIKeySQBQAXYGUKOIKN-UHFFFAOYSA-N
XLogP0.01
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.02
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-methylnaphthalen-2-yl)methanol
CID 15054223
(2-phenanthren-9-ylnaphthalen-1-yl)boronic acid
CID 87663788
(2-propan-2-yloxynaphthalen-1-yl)boronic acid
CID 54911254
anthracen-9-ylboronic acid;9-bromoanthracene
CID 157130020
(2-methoxycarbonylnaphthalen-1-yl)boronic acid
CID 155682723
[1-[2-(hydroxymethyl)anthracen-1-yl]anthracen-2-yl]methanol
CID 12667018
(2-hydroxy-6-naphthalen-1-ylphenyl)boronic acid
CID 175463508
(10-naphthalen-1-ylanthracen-9-yl)boronic acid
CID 23088558
[2-(3-methoxypropoxy)naphthalen-1-yl]boronic acid
CID 54911339
(4-phenanthren-1-yl-2,6-diphenylphenyl)boronic acid
CID 177108224
2-[1-[2-(2-hydroxyethyl)naphthalen-1-yl]naphthalen-2-yl]ethanol
CID 10405122
[1-(2-trimethylsilylethynyl)naphthalen-2-yl]methanol
CID 15355674

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)naphthalen-1-yl]boronic acid?
The IUPAC name of [2-(hydroxymethyl)naphthalen-1-yl]boronic acid (CID 141383455) is [2-(hydroxymethyl)naphthalen-1-yl]boronic acid.
What is the SMILES notation for [2-(hydroxymethyl)naphthalen-1-yl]boronic acid?
The canonical SMILES for [2-(hydroxymethyl)naphthalen-1-yl]boronic acid is OCc1ccc2ccccc2c1B(O)O.
What is the InChIKey of [2-(hydroxymethyl)naphthalen-1-yl]boronic acid?
The InChIKey is SQBQAXYGUKOIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BO3/c13-7-9-6-5-8-3-1-2-4-10(8)11(9)12(14)15/h1-6,13-15H,7H2.
What are the key properties of [2-(hydroxymethyl)naphthalen-1-yl]boronic acid?
[2-(hydroxymethyl)naphthalen-1-yl]boronic acid has a molecular weight of 202.02 g/mol, XLogP of 0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)naphthalen-1-yl]boronic acid is sourced from PubChem (CID 141383455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).