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

C16H18Br2O3 — CID 158132075

IUPAC2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol
SMILESCOCOc1ccc(C)cc1Br.Cc1ccc(O)c(Br)c1
InChIInChI=1S/C9H11BrO2.C7H7BrO/c1-7-3-4-9(8(10)5-7)12-6-11-2;1-5-2-3-7(9)6(8)4-5/h3-5H,6H2,1-2H3;2-4,9H,1H3
InChIKeyFSWZTGCOLVNTKC-UHFFFAOYSA-N
MW418.13 g/mol
LogP5.20
Rot. Bonds3

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

2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol (PubChem CID 158132075) has the molecular formula C16H18Br2O3 and a molecular weight of 418.13 g/mol. Its IUPAC name is 2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol.

Molecular Properties

Compound Name2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol
PubChem CID158132075
Molecular FormulaC16H18Br2O3
Molecular Weight418.13 g/mol
Exact Mass415.96
IUPAC Name2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol
SMILESCOCOc1ccc(C)cc1Br.Cc1ccc(O)c(Br)c1
InChIInChI=1S/C9H11BrO2.C7H7BrO/c1-7-3-4-9(8(10)5-7)12-6-11-2;1-5-2-3-7(9)6(8)4-5/h3-5H,6H2,1-2H3;2-4,9H,1H3
InChIKeyFSWZTGCOLVNTKC-UHFFFAOYSA-N
XLogP5.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.13
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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;dimethoxymethane
CID 158942967
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
2-bromo-1-(3-bromo-2,2-dimethylpropoxy)-4-methylbenzene
CID 64995276
6-(2-bromo-4-methylphenoxy)hexan-1-ol
CID 103801841

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol?
The IUPAC name of 2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol (CID 158132075) is 2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol.
What is the SMILES notation for 2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol?
The canonical SMILES for 2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol is COCOc1ccc(C)cc1Br.Cc1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol?
The InChIKey is FSWZTGCOLVNTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2.C7H7BrO/c1-7-3-4-9(8(10)5-7)12-6-11-2;1-5-2-3-7(9)6(8)4-5/h3-5H,6H2,1-2H3;2-4,9H,1H3.
What are the key properties of 2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol?
2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol has a molecular weight of 418.13 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol is sourced from PubChem (CID 158132075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).