2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol;dimethoxymethane

C19H26Br2O5 — CID 158942967

IUPAC2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol;dimethoxymethane
SMILESCOCOC.COCOc1ccc(C)cc1Br.Cc1ccc(O)c(Br)c1
InChIInChI=1S/C9H11BrO2.C7H7BrO.C3H8O2/c1-7-3-4-9(8(10)5-7)12-6-11-2;1-5-2-3-7(9)6(8)4-5;1-4-3-5-2/h3-5H,6H2,1-2H3;2-4,9H,1H3;3H2,1-2H3
InChIKeyJKMDNCGLPHCHJB-UHFFFAOYSA-N
MW494.22 g/mol
LogP5.44
Rot. Bonds5

About 2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol;dimethoxymethane

2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol;dimethoxymethane (PubChem CID 158942967) has the molecular formula C19H26Br2O5 and a molecular weight of 494.22 g/mol. Its IUPAC name is 2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol;dimethoxymethane.

Molecular Properties

Compound Name2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol;dimethoxymethane
PubChem CID158942967
Molecular FormulaC19H26Br2O5
Molecular Weight494.22 g/mol
Exact Mass492.01
IUPAC Name2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol;dimethoxymethane
SMILESCOCOC.COCOc1ccc(C)cc1Br.Cc1ccc(O)c(Br)c1
InChIInChI=1S/C9H11BrO2.C7H7BrO.C3H8O2/c1-7-3-4-9(8(10)5-7)12-6-11-2;1-5-2-3-7(9)6(8)4-5;1-4-3-5-2/h3-5H,6H2,1-2H3;2-4,9H,1H3;3H2,1-2H3
InChIKeyJKMDNCGLPHCHJB-UHFFFAOYSA-N
XLogP5.44
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.22
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol
CID 158132075
2-bromo-4-methylphenol;methoxy(methoxymethoxy)methane
CID 67671436
2-bromo-1-(2-bromoethoxy)-4-methylbenzene;2-bromo-4-methylphenol
CID 161031676
zinc;2-bromo-4-methylphenol;oxygen(2-)
CID 174743291
2-bromo-1-(3-methoxypropoxy)-4-methylbenzene
CID 60778653
2-bromo-1-ethoxy-4-methylbenzene;ethane
CID 143442482
2-bromo-4-methyl-1-propoxybenzene
CID 21057754
1-(2-bromo-4-methylphenoxy)-2-methylpropan-2-ol
CID 60878410
2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene
CID 103409894
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
6-(2-bromo-4-methylphenoxy)hexan-1-ol
CID 103801841
2-bromo-1-(3-bromo-2,2-dimethylpropoxy)-4-methylbenzene
CID 64995276

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol;dimethoxymethane?
The IUPAC name of 2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol;dimethoxymethane (CID 158942967) is 2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol;dimethoxymethane.
What is the SMILES notation for 2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol;dimethoxymethane?
The canonical SMILES for 2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol;dimethoxymethane is COCOC.COCOc1ccc(C)cc1Br.Cc1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol;dimethoxymethane?
The InChIKey is JKMDNCGLPHCHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2.C7H7BrO.C3H8O2/c1-7-3-4-9(8(10)5-7)12-6-11-2;1-5-2-3-7(9)6(8)4-5;1-4-3-5-2/h3-5H,6H2,1-2H3;2-4,9H,1H3;3H2,1-2H3.
What are the key properties of 2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol;dimethoxymethane?
2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol;dimethoxymethane has a molecular weight of 494.22 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol;dimethoxymethane is sourced from PubChem (CID 158942967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).