[6-(oxan-4-ylmethoxy)naphthalen-2-yl]boronic acid

C16H19BO4 — CID 62386802

IUPAC[6-(oxan-4-ylmethoxy)naphthalen-2-yl]boronic acid
SMILESOB(O)c1ccc2cc(OCC3CCOCC3)ccc2c1
InChIInChI=1S/C16H19BO4/c18-17(19)15-3-1-14-10-16(4-2-13(14)9-15)21-11-12-5-7-20-8-6-12/h1-4,9-10,12,18-19H,5-8,11H2
InChIKeyKFYJORQFJRAHEQ-UHFFFAOYSA-N
MW286.14 g/mol
LogP1.33
Rot. Bonds4

About [6-(oxan-4-ylmethoxy)naphthalen-2-yl]boronic acid

[6-(oxan-4-ylmethoxy)naphthalen-2-yl]boronic acid (PubChem CID 62386802) has the molecular formula C16H19BO4 and a molecular weight of 286.14 g/mol. Its IUPAC name is [6-(oxan-4-ylmethoxy)naphthalen-2-yl]boronic acid.

Molecular Properties

Compound Name[6-(oxan-4-ylmethoxy)naphthalen-2-yl]boronic acid
PubChem CID62386802
Molecular FormulaC16H19BO4
Molecular Weight286.14 g/mol
Exact Mass286.14
IUPAC Name[6-(oxan-4-ylmethoxy)naphthalen-2-yl]boronic acid
SMILESOB(O)c1ccc2cc(OCC3CCOCC3)ccc2c1
InChIInChI=1S/C16H19BO4/c18-17(19)15-3-1-14-10-16(4-2-13(14)9-15)21-11-12-5-7-20-8-6-12/h1-4,9-10,12,18-19H,5-8,11H2
InChIKeyKFYJORQFJRAHEQ-UHFFFAOYSA-N
XLogP1.33
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-methyl-4-(oxan-4-ylmethoxy)phenyl]boronic acid
CID 63216780
[6-(oxan-4-ylmethoxy)-3-pyridinyl]boronic acid
CID 71093696
[6-(2-hydroxyethoxy)naphthalen-2-yl]boronic acid
CID 67996313
2-chloro-4-(oxan-4-ylmethoxy)aniline
CID 62384730
2-chloro-5-(oxan-4-ylmethoxy)benzoic acid
CID 106500528
2-methyl-4-(oxan-4-ylmethoxy)benzoic acid
CID 81282466
1-[2-amino-5-(oxan-4-ylmethoxy)phenyl]ethanone
CID 104613309
[4-(oxan-4-ylmethoxy)-2-(trifluoromethyl)phenyl]methanamine
CID 62383274
2-ethoxy-4-(oxan-4-ylmethoxy)aniline
CID 63678220
[4-methoxy-2-(oxan-4-ylmethoxymethyl)phenyl]boronic acid
CID 65327500
(E)-3-[4-(oxan-4-ylmethoxy)phenyl]prop-2-enoic acid
CID 62386800
[4-(cyclopentylmethoxy)-2-fluorophenyl]boronic acid
CID 65203320

Frequently Asked Questions

What is the IUPAC name of [6-(oxan-4-ylmethoxy)naphthalen-2-yl]boronic acid?
The IUPAC name of [6-(oxan-4-ylmethoxy)naphthalen-2-yl]boronic acid (CID 62386802) is [6-(oxan-4-ylmethoxy)naphthalen-2-yl]boronic acid.
What is the SMILES notation for [6-(oxan-4-ylmethoxy)naphthalen-2-yl]boronic acid?
The canonical SMILES for [6-(oxan-4-ylmethoxy)naphthalen-2-yl]boronic acid is OB(O)c1ccc2cc(OCC3CCOCC3)ccc2c1.
What is the InChIKey of [6-(oxan-4-ylmethoxy)naphthalen-2-yl]boronic acid?
The InChIKey is KFYJORQFJRAHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BO4/c18-17(19)15-3-1-14-10-16(4-2-13(14)9-15)21-11-12-5-7-20-8-6-12/h1-4,9-10,12,18-19H,5-8,11H2.
What are the key properties of [6-(oxan-4-ylmethoxy)naphthalen-2-yl]boronic acid?
[6-(oxan-4-ylmethoxy)naphthalen-2-yl]boronic acid has a molecular weight of 286.14 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(oxan-4-ylmethoxy)naphthalen-2-yl]boronic acid is sourced from PubChem (CID 62386802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).