[6-(3-ethoxypropoxy)naphthalen-2-yl]boronic acid

C15H19BO4 — CID 65175268

IUPAC[6-(3-ethoxypropoxy)naphthalen-2-yl]boronic acid
SMILESCCOCCCOc1ccc2cc(B(O)O)ccc2c1
InChIInChI=1S/C15H19BO4/c1-2-19-8-3-9-20-15-7-5-12-10-14(16(17)18)6-4-13(12)11-15/h4-7,10-11,17-18H,2-3,8-9H2,1H3
InChIKeyMGDIZGUVVFTIBY-UHFFFAOYSA-N
MW274.12 g/mol
LogP1.33
Rot. Bonds7

About [6-(3-ethoxypropoxy)naphthalen-2-yl]boronic acid

[6-(3-ethoxypropoxy)naphthalen-2-yl]boronic acid (PubChem CID 65175268) has the molecular formula C15H19BO4 and a molecular weight of 274.12 g/mol. Its IUPAC name is [6-(3-ethoxypropoxy)naphthalen-2-yl]boronic acid.

Molecular Properties

Compound Name[6-(3-ethoxypropoxy)naphthalen-2-yl]boronic acid
PubChem CID65175268
Molecular FormulaC15H19BO4
Molecular Weight274.12 g/mol
Exact Mass274.14
IUPAC Name[6-(3-ethoxypropoxy)naphthalen-2-yl]boronic acid
SMILESCCOCCCOc1ccc2cc(B(O)O)ccc2c1
InChIInChI=1S/C15H19BO4/c1-2-19-8-3-9-20-15-7-5-12-10-14(16(17)18)6-4-13(12)11-15/h4-7,10-11,17-18H,2-3,8-9H2,1H3
InChIKeyMGDIZGUVVFTIBY-UHFFFAOYSA-N
XLogP1.33
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 51.33
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

[6-(2-hydroxyethoxy)naphthalen-2-yl]boronic acid
CID 67996313
[2-chloro-4-(3-ethoxypropoxy)phenyl]boronic acid
CID 131400415
[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]boronic acid
CID 54971073
[6-(2,2-dimethylpropoxy)naphthalen-2-yl]boronic acid
CID 154732260
[6-(2-methylpentoxy)naphthalen-2-yl]boronic acid
CID 63549209
4-(6-ethoxynaphthalen-2-yl)oxybutan-1-ol
CID 126699424
(3-hexoxyphenyl)boronic acid
CID 43145336
[6-(oxan-4-ylmethoxy)naphthalen-2-yl]boronic acid
CID 62386802
4-(3-ethoxypropoxy)aniline
CID 43365878
11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol
CID 86182037
1-[4-(3-ethoxypropoxy)-2-fluorophenyl]ethanol
CID 107719818
[4-[2-(1-ethoxypropan-2-yloxy)ethoxy]phenyl]boronic acid
CID 103489571

Frequently Asked Questions

What is the IUPAC name of [6-(3-ethoxypropoxy)naphthalen-2-yl]boronic acid?
The IUPAC name of [6-(3-ethoxypropoxy)naphthalen-2-yl]boronic acid (CID 65175268) is [6-(3-ethoxypropoxy)naphthalen-2-yl]boronic acid.
What is the SMILES notation for [6-(3-ethoxypropoxy)naphthalen-2-yl]boronic acid?
The canonical SMILES for [6-(3-ethoxypropoxy)naphthalen-2-yl]boronic acid is CCOCCCOc1ccc2cc(B(O)O)ccc2c1.
What is the InChIKey of [6-(3-ethoxypropoxy)naphthalen-2-yl]boronic acid?
The InChIKey is MGDIZGUVVFTIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BO4/c1-2-19-8-3-9-20-15-7-5-12-10-14(16(17)18)6-4-13(12)11-15/h4-7,10-11,17-18H,2-3,8-9H2,1H3.
What are the key properties of [6-(3-ethoxypropoxy)naphthalen-2-yl]boronic acid?
[6-(3-ethoxypropoxy)naphthalen-2-yl]boronic acid has a molecular weight of 274.12 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-ethoxypropoxy)naphthalen-2-yl]boronic acid is sourced from PubChem (CID 65175268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).