(2-propan-2-yloxynaphthalen-1-yl)boronic acid

C13H15BO3 — CID 54911254

IUPAC(2-propan-2-yloxynaphthalen-1-yl)boronic acid
SMILESCC(C)Oc1ccc2ccccc2c1B(O)O
InChIInChI=1S/C13H15BO3/c1-9(2)17-12-8-7-10-5-3-4-6-11(10)13(12)14(15)16/h3-9,15-16H,1-2H3
InChIKeyYHVDICWVRLAXMV-UHFFFAOYSA-N
MW230.07 g/mol
LogP1.31
Rot. Bonds3

About (2-propan-2-yloxynaphthalen-1-yl)boronic acid

(2-propan-2-yloxynaphthalen-1-yl)boronic acid (PubChem CID 54911254) has the molecular formula C13H15BO3 and a molecular weight of 230.07 g/mol. Its IUPAC name is (2-propan-2-yloxynaphthalen-1-yl)boronic acid.

Molecular Properties

Compound Name(2-propan-2-yloxynaphthalen-1-yl)boronic acid
PubChem CID54911254
Molecular FormulaC13H15BO3
Molecular Weight230.07 g/mol
Exact Mass230.11
IUPAC Name(2-propan-2-yloxynaphthalen-1-yl)boronic acid
SMILESCC(C)Oc1ccc2ccccc2c1B(O)O
InChIInChI=1S/C13H15BO3/c1-9(2)17-12-8-7-10-5-3-4-6-11(10)13(12)14(15)16/h3-9,15-16H,1-2H3
InChIKeyYHVDICWVRLAXMV-UHFFFAOYSA-N
XLogP1.31
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.07
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yloxynaphthalen-1-ol
CID 23272530
[2-(3-methoxypropoxy)naphthalen-1-yl]boronic acid
CID 54911339
[2-[(E)-but-2-enoxy]naphthalen-1-yl]boronic acid
CID 54911168
trifluoro-(2-propan-2-yloxynaphthalen-1-yl)boranuide
CID 63677449
[2-(3-methylbut-3-enoxy)naphthalen-1-yl]boronic acid
CID 114472965
[2-(2-propoxyethoxy)naphthalen-1-yl]boronic acid
CID 106454176
[2-(2-butoxyethoxy)naphthalen-1-yl]boronic acid
CID 61483476
1-(1-propan-2-yloxynaphthalen-2-yl)ethanol
CID 43504390
naphthalen-1-yl 2-propan-2-yloxybenzoate
CID 23013102
(2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol
CID 51996892
N-methyl-2-(2-propan-2-yloxynaphthalen-1-yl)ethanamine
CID 82550374
[2-(hydroxymethyl)naphthalen-1-yl]boronic acid
CID 141383455

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yloxynaphthalen-1-yl)boronic acid?
The IUPAC name of (2-propan-2-yloxynaphthalen-1-yl)boronic acid (CID 54911254) is (2-propan-2-yloxynaphthalen-1-yl)boronic acid.
What is the SMILES notation for (2-propan-2-yloxynaphthalen-1-yl)boronic acid?
The canonical SMILES for (2-propan-2-yloxynaphthalen-1-yl)boronic acid is CC(C)Oc1ccc2ccccc2c1B(O)O.
What is the InChIKey of (2-propan-2-yloxynaphthalen-1-yl)boronic acid?
The InChIKey is YHVDICWVRLAXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BO3/c1-9(2)17-12-8-7-10-5-3-4-6-11(10)13(12)14(15)16/h3-9,15-16H,1-2H3.
What are the key properties of (2-propan-2-yloxynaphthalen-1-yl)boronic acid?
(2-propan-2-yloxynaphthalen-1-yl)boronic acid has a molecular weight of 230.07 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yloxynaphthalen-1-yl)boronic acid is sourced from PubChem (CID 54911254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).