2-bromo-1-(methoxymethoxy)-4-(methoxymethoxymethyl)benzene

C11H15BrO4 — CID 57310009

IUPAC2-bromo-1-(methoxymethoxy)-4-(methoxymethoxymethyl)benzene
SMILESCOCOCc1ccc(OCOC)c(Br)c1
InChIInChI=1S/C11H15BrO4/c1-13-7-15-6-9-3-4-11(10(12)5-9)16-8-14-2/h3-5H,6-8H2,1-2H3
InChIKeyONODRMALVOZKCD-UHFFFAOYSA-N
MW291.14 g/mol
LogP2.55
Rot. Bonds7

About 2-bromo-1-(methoxymethoxy)-4-(methoxymethoxymethyl)benzene

2-bromo-1-(methoxymethoxy)-4-(methoxymethoxymethyl)benzene (PubChem CID 57310009) has the molecular formula C11H15BrO4 and a molecular weight of 291.14 g/mol. Its IUPAC name is 2-bromo-1-(methoxymethoxy)-4-(methoxymethoxymethyl)benzene.

Molecular Properties

Compound Name2-bromo-1-(methoxymethoxy)-4-(methoxymethoxymethyl)benzene
PubChem CID57310009
Molecular FormulaC11H15BrO4
Molecular Weight291.14 g/mol
Exact Mass290.02
IUPAC Name2-bromo-1-(methoxymethoxy)-4-(methoxymethoxymethyl)benzene
SMILESCOCOCc1ccc(OCOC)c(Br)c1
InChIInChI=1S/C11H15BrO4/c1-13-7-15-6-9-3-4-11(10(12)5-9)16-8-14-2/h3-5H,6-8H2,1-2H3
InChIKeyONODRMALVOZKCD-UHFFFAOYSA-N
XLogP2.55
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(methoxymethoxymethyl)benzene
CID 121009952
2-bromo-4-[[4-(methoxymethoxy)phenyl]methyl]-1-phenylmethoxybenzene
CID 59141082
2-bromo-1-methoxy-4-[2-(3-methoxypropoxy)ethoxymethyl]benzene
CID 103179412
[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 63045813
2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol
CID 158132075
2-bromo-4-(2,2-difluoroethoxymethyl)-1-methoxybenzene
CID 82006553
1-bromo-2-(methoxymethoxy)benzene;ethane
CID 91232598
2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol;dimethoxymethane
CID 158942967
2-bromo-4-[(3-chlorophenyl)methoxymethyl]-1-methoxybenzene
CID 65126584
4-ethyl-1,2-bis(methoxymethoxy)benzene
CID 59060180
2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene
CID 60673478
2-bromo-4-(bromomethyl)-1-[(4-methylphenyl)methoxy]benzene
CID 63534889

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(methoxymethoxy)-4-(methoxymethoxymethyl)benzene?
The IUPAC name of 2-bromo-1-(methoxymethoxy)-4-(methoxymethoxymethyl)benzene (CID 57310009) is 2-bromo-1-(methoxymethoxy)-4-(methoxymethoxymethyl)benzene.
What is the SMILES notation for 2-bromo-1-(methoxymethoxy)-4-(methoxymethoxymethyl)benzene?
The canonical SMILES for 2-bromo-1-(methoxymethoxy)-4-(methoxymethoxymethyl)benzene is COCOCc1ccc(OCOC)c(Br)c1.
What is the InChIKey of 2-bromo-1-(methoxymethoxy)-4-(methoxymethoxymethyl)benzene?
The InChIKey is ONODRMALVOZKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO4/c1-13-7-15-6-9-3-4-11(10(12)5-9)16-8-14-2/h3-5H,6-8H2,1-2H3.
What are the key properties of 2-bromo-1-(methoxymethoxy)-4-(methoxymethoxymethyl)benzene?
2-bromo-1-(methoxymethoxy)-4-(methoxymethoxymethyl)benzene has a molecular weight of 291.14 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(methoxymethoxy)-4-(methoxymethoxymethyl)benzene is sourced from PubChem (CID 57310009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).