[2-(3-methoxypropoxy)naphthalen-1-yl]boronic acid

C14H17BO4 — CID 54911339

IUPAC[2-(3-methoxypropoxy)naphthalen-1-yl]boronic acid
SMILESCOCCCOc1ccc2ccccc2c1B(O)O
InChIInChI=1S/C14H17BO4/c1-18-9-4-10-19-13-8-7-11-5-2-3-6-12(11)14(13)15(16)17/h2-3,5-8,16-17H,4,9-10H2,1H3
InChIKeyGHIQVUAVIGWNEB-UHFFFAOYSA-N
MW260.10 g/mol
LogP0.93
Rot. Bonds6

About [2-(3-methoxypropoxy)naphthalen-1-yl]boronic acid

[2-(3-methoxypropoxy)naphthalen-1-yl]boronic acid (PubChem CID 54911339) has the molecular formula C14H17BO4 and a molecular weight of 260.10 g/mol. Its IUPAC name is [2-(3-methoxypropoxy)naphthalen-1-yl]boronic acid.

Molecular Properties

Compound Name[2-(3-methoxypropoxy)naphthalen-1-yl]boronic acid
PubChem CID54911339
Molecular FormulaC14H17BO4
Molecular Weight260.10 g/mol
Exact Mass260.12
IUPAC Name[2-(3-methoxypropoxy)naphthalen-1-yl]boronic acid
SMILESCOCCCOc1ccc2ccccc2c1B(O)O
InChIInChI=1S/C14H17BO4/c1-18-9-4-10-19-13-8-7-11-5-2-3-6-12(11)14(13)15(16)17/h2-3,5-8,16-17H,4,9-10H2,1H3
InChIKeyGHIQVUAVIGWNEB-UHFFFAOYSA-N
XLogP0.93
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.10
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-butoxyethoxy)naphthalen-1-yl]boronic acid
CID 61483476
[2-(2-propoxyethoxy)naphthalen-1-yl]boronic acid
CID 106454176
[2-(3-methylbut-3-enoxy)naphthalen-1-yl]boronic acid
CID 114472965
[2-[(E)-but-2-enoxy]naphthalen-1-yl]boronic acid
CID 54911168
(2-propan-2-yloxynaphthalen-1-yl)boronic acid
CID 54911254
1-(chloromethyl)-2-(4-methoxybutoxy)naphthalene
CID 104648105
[2-(4-methoxybutoxy)phenyl]boronic acid
CID 104648198
1-[2-(3-methoxypropoxy)ethoxy]naphthalene
CID 103184395
2-[1-[2-(2-methoxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol
CID 144623852
(2-ethoxynaphthalen-1-yl)-dimethylborane
CID 67978534
(2-methoxycarbonylnaphthalen-1-yl)boronic acid
CID 155682723
1-ethenyl-2-(2-methoxyethoxy)naphthalene
CID 176513404

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxypropoxy)naphthalen-1-yl]boronic acid?
The IUPAC name of [2-(3-methoxypropoxy)naphthalen-1-yl]boronic acid (CID 54911339) is [2-(3-methoxypropoxy)naphthalen-1-yl]boronic acid.
What is the SMILES notation for [2-(3-methoxypropoxy)naphthalen-1-yl]boronic acid?
The canonical SMILES for [2-(3-methoxypropoxy)naphthalen-1-yl]boronic acid is COCCCOc1ccc2ccccc2c1B(O)O.
What is the InChIKey of [2-(3-methoxypropoxy)naphthalen-1-yl]boronic acid?
The InChIKey is GHIQVUAVIGWNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BO4/c1-18-9-4-10-19-13-8-7-11-5-2-3-6-12(11)14(13)15(16)17/h2-3,5-8,16-17H,4,9-10H2,1H3.
What are the key properties of [2-(3-methoxypropoxy)naphthalen-1-yl]boronic acid?
[2-(3-methoxypropoxy)naphthalen-1-yl]boronic acid has a molecular weight of 260.10 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxypropoxy)naphthalen-1-yl]boronic acid is sourced from PubChem (CID 54911339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).