2-bromobenzene-1,4-diol;dihydroxy(dimethoxy)silane

C8H13BrO6Si — CID 174899341

IUPAC2-bromobenzene-1,4-diol;dihydroxy(dimethoxy)silane
SMILESCO[Si](O)(O)OC.Oc1ccc(O)c(Br)c1
InChIInChI=1S/C6H5BrO2.C2H8O4Si/c7-5-3-4(8)1-2-6(5)9;1-5-7(3,4)6-2/h1-3,8-9H;3-4H,1-2H3
InChIKeyFPAMEPYFTUXPKX-UHFFFAOYSA-N
MW313.18 g/mol
LogP0.56
Rot. Bonds2

About 2-bromobenzene-1,4-diol;dihydroxy(dimethoxy)silane

2-bromobenzene-1,4-diol;dihydroxy(dimethoxy)silane (PubChem CID 174899341) has the molecular formula C8H13BrO6Si and a molecular weight of 313.18 g/mol. Its IUPAC name is 2-bromobenzene-1,4-diol;dihydroxy(dimethoxy)silane.

Molecular Properties

Compound Name2-bromobenzene-1,4-diol;dihydroxy(dimethoxy)silane
PubChem CID174899341
Molecular FormulaC8H13BrO6Si
Molecular Weight313.18 g/mol
Exact Mass311.97
IUPAC Name2-bromobenzene-1,4-diol;dihydroxy(dimethoxy)silane
SMILESCO[Si](O)(O)OC.Oc1ccc(O)c(Br)c1
InChIInChI=1S/C6H5BrO2.C2H8O4Si/c7-5-3-4(8)1-2-6(5)9;1-5-7(3,4)6-2/h1-3,8-9H;3-4H,1-2H3
InChIKeyFPAMEPYFTUXPKX-UHFFFAOYSA-N
XLogP0.56
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromobenzene-1,4-diol;dihydroxy(dimethoxy)silane?
The IUPAC name of 2-bromobenzene-1,4-diol;dihydroxy(dimethoxy)silane (CID 174899341) is 2-bromobenzene-1,4-diol;dihydroxy(dimethoxy)silane.
What is the SMILES notation for 2-bromobenzene-1,4-diol;dihydroxy(dimethoxy)silane?
The canonical SMILES for 2-bromobenzene-1,4-diol;dihydroxy(dimethoxy)silane is CO[Si](O)(O)OC.Oc1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromobenzene-1,4-diol;dihydroxy(dimethoxy)silane?
The InChIKey is FPAMEPYFTUXPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrO2.C2H8O4Si/c7-5-3-4(8)1-2-6(5)9;1-5-7(3,4)6-2/h1-3,8-9H;3-4H,1-2H3.
What are the key properties of 2-bromobenzene-1,4-diol;dihydroxy(dimethoxy)silane?
2-bromobenzene-1,4-diol;dihydroxy(dimethoxy)silane has a molecular weight of 313.18 g/mol, XLogP of 0.56, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromobenzene-1,4-diol;dihydroxy(dimethoxy)silane is sourced from PubChem (CID 174899341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).