[4-borono-2,5-bis(oxan-2-yloxy)phenyl]boronic acid

C16H24B2O8 — CID 25242206

IUPAC[4-borono-2,5-bis(oxan-2-yloxy)phenyl]boronic acid
SMILESOB(O)c1cc(OC2CCCCO2)c(B(O)O)cc1OC1CCCCO1
InChIInChI=1S/C16H24B2O8/c19-17(20)11-10-14(26-16-6-2-4-8-24-16)12(18(21)22)9-13(11)25-15-5-1-3-7-23-15/h9-10,15-16,19-22H,1-8H2
InChIKeyCJEGSBVJYRRNNK-UHFFFAOYSA-N
MW365.98 g/mol
LogP-1.14
Rot. Bonds6

About [4-borono-2,5-bis(oxan-2-yloxy)phenyl]boronic acid

[4-borono-2,5-bis(oxan-2-yloxy)phenyl]boronic acid (PubChem CID 25242206) has the molecular formula C16H24B2O8 and a molecular weight of 365.98 g/mol. Its IUPAC name is [4-borono-2,5-bis(oxan-2-yloxy)phenyl]boronic acid.

Molecular Properties

Compound Name[4-borono-2,5-bis(oxan-2-yloxy)phenyl]boronic acid
PubChem CID25242206
Molecular FormulaC16H24B2O8
Molecular Weight365.98 g/mol
Exact Mass366.17
IUPAC Name[4-borono-2,5-bis(oxan-2-yloxy)phenyl]boronic acid
SMILESOB(O)c1cc(OC2CCCCO2)c(B(O)O)cc1OC1CCCCO1
InChIInChI=1S/C16H24B2O8/c19-17(20)11-10-14(26-16-6-2-4-8-24-16)12(18(21)22)9-13(11)25-15-5-1-3-7-23-15/h9-10,15-16,19-22H,1-8H2
InChIKeyCJEGSBVJYRRNNK-UHFFFAOYSA-N
XLogP-1.14
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.98
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
[4-[(2R)-oxan-2-yl]oxyphenyl]boronic acid
CID 99738228
2-(2,5-dimethylphenoxy)oxane
CID 15305690
1-[3,4-bis(oxan-2-yloxy)phenyl]ethanone
CID 121005777
1-[3-methyl-4-(oxan-2-yloxy)phenyl]ethanone
CID 58975274
[4-methoxy-2-(oxan-2-yloxy)phenyl]-dipropoxyborane
CID 20789356
2,3-dimethylbutane-2,3-diol;[4-(oxan-2-yloxy)phenoxy]boronic acid
CID 175556774
2-methoxy-5-(oxan-2-yloxy)phenol
CID 163802207
2-tert-butyl-4-(oxan-2-yloxy)phenol
CID 12842791
6,7-dimethyl-5-(oxan-2-yloxy)-1-benzofuran-2-carboxylic acid
CID 22026149
4-(oxan-2-yloxy)benzoic acid
CID 11183645
2-(4-ethynyl-2-methylphenoxy)oxane
CID 22991499

Frequently Asked Questions

What is the IUPAC name of [4-borono-2,5-bis(oxan-2-yloxy)phenyl]boronic acid?
The IUPAC name of [4-borono-2,5-bis(oxan-2-yloxy)phenyl]boronic acid (CID 25242206) is [4-borono-2,5-bis(oxan-2-yloxy)phenyl]boronic acid.
What is the SMILES notation for [4-borono-2,5-bis(oxan-2-yloxy)phenyl]boronic acid?
The canonical SMILES for [4-borono-2,5-bis(oxan-2-yloxy)phenyl]boronic acid is OB(O)c1cc(OC2CCCCO2)c(B(O)O)cc1OC1CCCCO1.
What is the InChIKey of [4-borono-2,5-bis(oxan-2-yloxy)phenyl]boronic acid?
The InChIKey is CJEGSBVJYRRNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24B2O8/c19-17(20)11-10-14(26-16-6-2-4-8-24-16)12(18(21)22)9-13(11)25-15-5-1-3-7-23-15/h9-10,15-16,19-22H,1-8H2.
What are the key properties of [4-borono-2,5-bis(oxan-2-yloxy)phenyl]boronic acid?
[4-borono-2,5-bis(oxan-2-yloxy)phenyl]boronic acid has a molecular weight of 365.98 g/mol, XLogP of -1.14, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-borono-2,5-bis(oxan-2-yloxy)phenyl]boronic acid is sourced from PubChem (CID 25242206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).