(3,5-dimethoxyphenoxy)-hydroperoxyborinic acid

C8H11BO6 — CID 175394311

IUPAC(3,5-dimethoxyphenoxy)-hydroperoxyborinic acid
SMILESCOc1cc(OC)cc(OB(O)OO)c1
InChIInChI=1S/C8H11BO6/c1-12-6-3-7(13-2)5-8(4-6)14-9(10)15-11/h3-5,10-11H,1-2H3
InChIKeyRVCUHSKYLHUHSL-UHFFFAOYSA-N
MW213.98 g/mol
LogP0.55
Rot. Bonds5

About (3,5-dimethoxyphenoxy)-hydroperoxyborinic acid

(3,5-dimethoxyphenoxy)-hydroperoxyborinic acid (PubChem CID 175394311) has the molecular formula C8H11BO6 and a molecular weight of 213.98 g/mol. Its IUPAC name is (3,5-dimethoxyphenoxy)-hydroperoxyborinic acid.

Molecular Properties

Compound Name(3,5-dimethoxyphenoxy)-hydroperoxyborinic acid
PubChem CID175394311
Molecular FormulaC8H11BO6
Molecular Weight213.98 g/mol
Exact Mass214.06
IUPAC Name(3,5-dimethoxyphenoxy)-hydroperoxyborinic acid
SMILESCOc1cc(OC)cc(OB(O)OO)c1
InChIInChI=1S/C8H11BO6/c1-12-6-3-7(13-2)5-8(4-6)14-9(10)15-11/h3-5,10-11H,1-2H3
InChIKeyRVCUHSKYLHUHSL-UHFFFAOYSA-N
XLogP0.55
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.98
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

phosphane;1,3,5-trimethoxybenzene
CID 175232895
1,3,5-trimethoxybenzene;urea
CID 174919725
boric acid;tris((3,5-dimethoxyphenyl)phosphane);tetrakis(1,3,5-trimethylbenzene)
CID 175358132
(4-methoxy-2,6-dimethylphenyl)boronic acid
CID 3716303
bis(4-methoxy-2,6-dimethylphenyl)borinic acid
CID 3613563
1-(hydroperoxymethyl)-3,5-dimethoxybenzene
CID 89188233
1,3-dimethoxy-5-methylbenzene;methane
CID 142906999
(3,5-dimethoxyphenyl)phosphane
CID 23215298
1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene
CID 139197183
1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 139077239
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
3-(3,5-dimethoxyphenyl)prop-1-en-2-ol;ethane
CID 144585769

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenoxy)-hydroperoxyborinic acid?
The IUPAC name of (3,5-dimethoxyphenoxy)-hydroperoxyborinic acid (CID 175394311) is (3,5-dimethoxyphenoxy)-hydroperoxyborinic acid.
What is the SMILES notation for (3,5-dimethoxyphenoxy)-hydroperoxyborinic acid?
The canonical SMILES for (3,5-dimethoxyphenoxy)-hydroperoxyborinic acid is COc1cc(OC)cc(OB(O)OO)c1.
What is the InChIKey of (3,5-dimethoxyphenoxy)-hydroperoxyborinic acid?
The InChIKey is RVCUHSKYLHUHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BO6/c1-12-6-3-7(13-2)5-8(4-6)14-9(10)15-11/h3-5,10-11H,1-2H3.
What are the key properties of (3,5-dimethoxyphenoxy)-hydroperoxyborinic acid?
(3,5-dimethoxyphenoxy)-hydroperoxyborinic acid has a molecular weight of 213.98 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenoxy)-hydroperoxyborinic acid is sourced from PubChem (CID 175394311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).