2-bromo-3,5,6-trimethylbenzene-1,4-diol;dimethoxymethoxy(dimethoxy)methane

C15H25BrO7 — CID 23460112

IUPAC2-bromo-3,5,6-trimethylbenzene-1,4-diol;dimethoxymethoxy(dimethoxy)methane
SMILESCOC(OC)OC(OC)OC.Cc1c(C)c(O)c(Br)c(C)c1O
InChIInChI=1S/C9H11BrO2.C6H14O5/c1-4-5(2)9(12)7(10)6(3)8(4)11;1-7-5(8-2)11-6(9-3)10-4/h11-12H,1-3H3;5-6H,1-4H3
InChIKeyDESWDHYAWPRAIA-UHFFFAOYSA-N
MW397.26 g/mol
LogP2.94
Rot. Bonds6

About 2-bromo-3,5,6-trimethylbenzene-1,4-diol;dimethoxymethoxy(dimethoxy)methane

2-bromo-3,5,6-trimethylbenzene-1,4-diol;dimethoxymethoxy(dimethoxy)methane (PubChem CID 23460112) has the molecular formula C15H25BrO7 and a molecular weight of 397.26 g/mol. Its IUPAC name is 2-bromo-3,5,6-trimethylbenzene-1,4-diol;dimethoxymethoxy(dimethoxy)methane.

Molecular Properties

Compound Name2-bromo-3,5,6-trimethylbenzene-1,4-diol;dimethoxymethoxy(dimethoxy)methane
PubChem CID23460112
Molecular FormulaC15H25BrO7
Molecular Weight397.26 g/mol
Exact Mass396.08
IUPAC Name2-bromo-3,5,6-trimethylbenzene-1,4-diol;dimethoxymethoxy(dimethoxy)methane
SMILESCOC(OC)OC(OC)OC.Cc1c(C)c(O)c(Br)c(C)c1O
InChIInChI=1S/C9H11BrO2.C6H14O5/c1-4-5(2)9(12)7(10)6(3)8(4)11;1-7-5(8-2)11-6(9-3)10-4/h11-12H,1-3H3;5-6H,1-4H3
InChIKeyDESWDHYAWPRAIA-UHFFFAOYSA-N
XLogP2.94
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4,5,6-tribromo-2-methylbenzene-1,3-diol
CID 21041923
3-bromo-4,5,6-trimethylbenzene-1,2-diol;4-bromo-3,5,6-trimethylbenzene-1,2-diol;2,4-dibromo-5,6-dimethylbenzene-1,3-diol;2,5-dibromo-4,6-dimethylbenzene-1,3-diol;3,4-dibromo-5,6-dimethylbenzene-1,2-diol;3,5-dibromo-4,6-dimethylbenzene-1,2-diol;3,6-dibromo-4,5-dimethylbenzene-1,2-diol;bis(4,5-dibromo-2,6-dimethylbenzene-1,3-diol);4,5-dibromo-3,6-dimethylbenzene-1,2-diol;4,6-dibromo-2,5-dimethylbenzene-1,3-diol;3,4,5,6-tetramethylbenzene-1,2-diol;bis(2,4,5-tribromo-6-methylbenzene-1,3-diol);2,4,6-tribromo-5-methylbenzene-1,3-diol;3,4,5-tribromo-6-methylbenzene-1,2-diol;3,4,6-tribromo-5-methylbenzene-1,2-diol;4,5,6-tribromo-2-methylbenzene-1,3-diol
CID 159497405
2-methoxy-3,5,6-trimethylbenzene-1,4-diol
CID 19817257
4-(aminomethyl)-2-bromo-3,5,6-trimethylphenol
CID 117110781
4-(2-aminopropan-2-yl)-2-bromo-3,5,6-trimethylphenol
CID 117111894
2-bromo-5-methoxy-3,6-dimethylphenol
CID 84694171
2-bromo-3-methylnaphthalene-1,4-diol
CID 5184557
2-(3-bromo-4-hydroxy-2,5,6-trimethylphenyl)acetonitrile
CID 115110966
4-methoxy-2,5,6-trimethylbenzene-1,3-diol
CID 154393157
2,3,5,6-tetramethyl-4-[1,2,2-tris(4-hydroxy-2,3,5,6-tetramethylphenyl)ethyl]phenol
CID 153325034
2-methoxy-4,6-dimethylbenzene-1,3,5-triol
CID 86718657
3,4,5-tribromo-2-chloro-6-methylphenol
CID 3019825

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,5,6-trimethylbenzene-1,4-diol;dimethoxymethoxy(dimethoxy)methane?
The IUPAC name of 2-bromo-3,5,6-trimethylbenzene-1,4-diol;dimethoxymethoxy(dimethoxy)methane (CID 23460112) is 2-bromo-3,5,6-trimethylbenzene-1,4-diol;dimethoxymethoxy(dimethoxy)methane.
What is the SMILES notation for 2-bromo-3,5,6-trimethylbenzene-1,4-diol;dimethoxymethoxy(dimethoxy)methane?
The canonical SMILES for 2-bromo-3,5,6-trimethylbenzene-1,4-diol;dimethoxymethoxy(dimethoxy)methane is COC(OC)OC(OC)OC.Cc1c(C)c(O)c(Br)c(C)c1O.
What is the InChIKey of 2-bromo-3,5,6-trimethylbenzene-1,4-diol;dimethoxymethoxy(dimethoxy)methane?
The InChIKey is DESWDHYAWPRAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2.C6H14O5/c1-4-5(2)9(12)7(10)6(3)8(4)11;1-7-5(8-2)11-6(9-3)10-4/h11-12H,1-3H3;5-6H,1-4H3.
What are the key properties of 2-bromo-3,5,6-trimethylbenzene-1,4-diol;dimethoxymethoxy(dimethoxy)methane?
2-bromo-3,5,6-trimethylbenzene-1,4-diol;dimethoxymethoxy(dimethoxy)methane has a molecular weight of 397.26 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,5,6-trimethylbenzene-1,4-diol;dimethoxymethoxy(dimethoxy)methane is sourced from PubChem (CID 23460112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).