[4-[(2R)-oxan-2-yl]oxyphenyl]boronic acid

C11H15BO4 — CID 99738228

IUPAC[4-[(2R)-oxan-2-yl]oxyphenyl]boronic acid
SMILESOB(O)c1ccc(O[C@@H]2CCCCO2)cc1
InChIInChI=1S/C11H15BO4/c13-12(14)9-4-6-10(7-5-9)16-11-3-1-2-8-15-11/h4-7,11,13-14H,1-3,8H2/t11-/m1/s1
InChIKeyDMGMCZRNMYQQQB-LLVKDONJSA-N
MW222.05 g/mol
LogP0.27
Rot. Bonds3

About [4-[(2R)-oxan-2-yl]oxyphenyl]boronic acid

[4-[(2R)-oxan-2-yl]oxyphenyl]boronic acid (PubChem CID 99738228) has the molecular formula C11H15BO4 and a molecular weight of 222.05 g/mol. Its IUPAC name is [4-[(2R)-oxan-2-yl]oxyphenyl]boronic acid.

Molecular Properties

Compound Name[4-[(2R)-oxan-2-yl]oxyphenyl]boronic acid
PubChem CID99738228
Molecular FormulaC11H15BO4
Molecular Weight222.05 g/mol
Exact Mass222.11
IUPAC Name[4-[(2R)-oxan-2-yl]oxyphenyl]boronic acid
SMILESOB(O)c1ccc(O[C@@H]2CCCCO2)cc1
InChIInChI=1S/C11H15BO4/c13-12(14)9-4-6-10(7-5-9)16-11-3-1-2-8-15-11/h4-7,11,13-14H,1-3,8H2/t11-/m1/s1
InChIKeyDMGMCZRNMYQQQB-LLVKDONJSA-N
XLogP0.27
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.05
LogP ≤ 50.27
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

4-(oxan-2-yloxy)phenol
CID 11745519
4-(oxan-2-yloxy)benzoic acid
CID 11183645
CID 168763543
CID 168763543
2,3-dimethylbutane-2,3-diol;[4-(oxan-2-yloxy)phenoxy]boronic acid
CID 175556774
CID 143834486
CID 143834486
2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane
CID 11247479
6-[4-(oxan-2-yloxy)phenoxy]hexan-1-ol
CID 70836225
(4-cyclopentyloxyphenyl)boronic acid
CID 23005412
trimethyl-[4-(oxan-2-yloxy)phenyl]stannane
CID 11537422
(2R)-2-(4-phenylphenoxy)oxane
CID 95989396
2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane
CID 11339567
[4-(oxan-2-yloxy)phenyl]methanethiol
CID 11264585

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-oxan-2-yl]oxyphenyl]boronic acid?
The IUPAC name of [4-[(2R)-oxan-2-yl]oxyphenyl]boronic acid (CID 99738228) is [4-[(2R)-oxan-2-yl]oxyphenyl]boronic acid.
What is the SMILES notation for [4-[(2R)-oxan-2-yl]oxyphenyl]boronic acid?
The canonical SMILES for [4-[(2R)-oxan-2-yl]oxyphenyl]boronic acid is OB(O)c1ccc(O[C@@H]2CCCCO2)cc1.
What is the InChIKey of [4-[(2R)-oxan-2-yl]oxyphenyl]boronic acid?
The InChIKey is DMGMCZRNMYQQQB-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15BO4/c13-12(14)9-4-6-10(7-5-9)16-11-3-1-2-8-15-11/h4-7,11,13-14H,1-3,8H2/t11-/m1/s1.
What are the key properties of [4-[(2R)-oxan-2-yl]oxyphenyl]boronic acid?
[4-[(2R)-oxan-2-yl]oxyphenyl]boronic acid has a molecular weight of 222.05 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-oxan-2-yl]oxyphenyl]boronic acid is sourced from PubChem (CID 99738228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).