2-bromo-1-chloro-3-(methoxymethoxy)benzene

C8H8BrClO2 — CID 164894389

IUPAC2-bromo-1-chloro-3-(methoxymethoxy)benzene
SMILESCOCOc1cccc(Cl)c1Br
InChIInChI=1S/C8H8BrClO2/c1-11-5-12-7-4-2-3-6(10)8(7)9/h2-4H,5H2,1H3
InChIKeyUJDCCYHTVCOSQJ-UHFFFAOYSA-N
MW251.51 g/mol
LogP3.09
Rot. Bonds3

About 2-bromo-1-chloro-3-(methoxymethoxy)benzene

2-bromo-1-chloro-3-(methoxymethoxy)benzene (PubChem CID 164894389) has the molecular formula C8H8BrClO2 and a molecular weight of 251.51 g/mol. Its IUPAC name is 2-bromo-1-chloro-3-(methoxymethoxy)benzene.

Molecular Properties

Compound Name2-bromo-1-chloro-3-(methoxymethoxy)benzene
PubChem CID164894389
Molecular FormulaC8H8BrClO2
Molecular Weight251.51 g/mol
Exact Mass249.94
IUPAC Name2-bromo-1-chloro-3-(methoxymethoxy)benzene
SMILESCOCOc1cccc(Cl)c1Br
InChIInChI=1S/C8H8BrClO2/c1-11-5-12-7-4-2-3-6(10)8(7)9/h2-4H,5H2,1H3
InChIKeyUJDCCYHTVCOSQJ-UHFFFAOYSA-N
XLogP3.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.51
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-chloro-3-(2-methoxyethoxy)benzene
CID 156587191
2-bromo-3-(methoxymethoxy)benzaldehyde
CID 59515258
2-bromobenzene-1,3-diol;2-bromo-1,3-bis(methoxymethoxy)benzene;methane
CID 161492235
1-bromo-2-(methoxymethoxy)benzene;ethane
CID 91232598
methyl 2-chloro-6-(methoxymethoxy)benzoate
CID 139356689
2-bromo-1-fluoro-3-(methoxymethoxy)benzene;2-bromo-3-fluorophenol
CID 167679834
N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine
CID 114318997
2-chloro-3-(methoxymethoxy)pyridine
CID 57430080
1-bromo-4-(2-chlorophenyl)-2-(methoxymethoxy)benzene
CID 171383285
2-ethyl-1,3-bis(methoxymethoxy)benzene
CID 141101427
2-bromo-1-chloro-3-(cyclohexylmethoxy)benzene
CID 156587194
2-bromo-1-chloro-3-(2,2,3,3-tetrafluoropropoxy)benzene
CID 176513372

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-chloro-3-(methoxymethoxy)benzene?
The IUPAC name of 2-bromo-1-chloro-3-(methoxymethoxy)benzene (CID 164894389) is 2-bromo-1-chloro-3-(methoxymethoxy)benzene.
What is the SMILES notation for 2-bromo-1-chloro-3-(methoxymethoxy)benzene?
The canonical SMILES for 2-bromo-1-chloro-3-(methoxymethoxy)benzene is COCOc1cccc(Cl)c1Br.
What is the InChIKey of 2-bromo-1-chloro-3-(methoxymethoxy)benzene?
The InChIKey is UJDCCYHTVCOSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO2/c1-11-5-12-7-4-2-3-6(10)8(7)9/h2-4H,5H2,1H3.
What are the key properties of 2-bromo-1-chloro-3-(methoxymethoxy)benzene?
2-bromo-1-chloro-3-(methoxymethoxy)benzene has a molecular weight of 251.51 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-chloro-3-(methoxymethoxy)benzene is sourced from PubChem (CID 164894389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).