1,3-dibromo-2,5-bis(methoxymethoxy)benzene

C10H12Br2O4 — CID 21364580

IUPAC1,3-dibromo-2,5-bis(methoxymethoxy)benzene
SMILESCOCOc1cc(Br)c(OCOC)c(Br)c1
InChIInChI=1S/C10H12Br2O4/c1-13-5-15-7-3-8(11)10(9(12)4-7)16-6-14-2/h3-4H,5-6H2,1-2H3
InChIKeyKBRHJEZBGGPUKL-UHFFFAOYSA-N
MW356.01 g/mol
LogP3.18
Rot. Bonds6

About 1,3-dibromo-2,5-bis(methoxymethoxy)benzene

1,3-dibromo-2,5-bis(methoxymethoxy)benzene (PubChem CID 21364580) has the molecular formula C10H12Br2O4 and a molecular weight of 356.01 g/mol. Its IUPAC name is 1,3-dibromo-2,5-bis(methoxymethoxy)benzene.

Molecular Properties

Compound Name1,3-dibromo-2,5-bis(methoxymethoxy)benzene
PubChem CID21364580
Molecular FormulaC10H12Br2O4
Molecular Weight356.01 g/mol
Exact Mass353.91
IUPAC Name1,3-dibromo-2,5-bis(methoxymethoxy)benzene
SMILESCOCOc1cc(Br)c(OCOC)c(Br)c1
InChIInChI=1S/C10H12Br2O4/c1-13-5-15-7-3-8(11)10(9(12)4-7)16-6-14-2/h3-4H,5-6H2,1-2H3
InChIKeyKBRHJEZBGGPUKL-UHFFFAOYSA-N
XLogP3.18
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.01
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethoxy-5-(methoxymethoxy)benzene
CID 11194953
2-bromo-1-chloro-4-(methoxymethoxy)benzene
CID 162421095
1-[3,5-dibromo-4-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 107741642
N-[[3,5-dibromo-4-(methoxymethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107743616
2-bromo-1-fluoro-4-(methoxymethoxy)benzene
CID 83236358
methyl 4-bromo-6-(methoxymethoxy)-1H-indole-2-carboxylate
CID 135358052
N-[[3,5-dibromo-4-(methoxymethoxy)phenyl]methyl]propan-1-amine
CID 107742274
2-bromo-4-(methoxymethoxy)benzaldehyde
CID 24829119
1-bromo-3-fluoro-2-(methoxymethoxy)-5-methylsulfanylbenzene
CID 142560015
2-[3,5-dibromo-4-methoxy-2-(methoxymethoxy)phenyl]acetonitrile
CID 11439946
1,4-bis(methoxymethoxy)benzene
CID 542643
1-bromo-5-fluoro-2-(methoxymethoxy)-3-(trifluoromethyl)benzene
CID 171368249

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2,5-bis(methoxymethoxy)benzene?
The IUPAC name of 1,3-dibromo-2,5-bis(methoxymethoxy)benzene (CID 21364580) is 1,3-dibromo-2,5-bis(methoxymethoxy)benzene.
What is the SMILES notation for 1,3-dibromo-2,5-bis(methoxymethoxy)benzene?
The canonical SMILES for 1,3-dibromo-2,5-bis(methoxymethoxy)benzene is COCOc1cc(Br)c(OCOC)c(Br)c1.
What is the InChIKey of 1,3-dibromo-2,5-bis(methoxymethoxy)benzene?
The InChIKey is KBRHJEZBGGPUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2O4/c1-13-5-15-7-3-8(11)10(9(12)4-7)16-6-14-2/h3-4H,5-6H2,1-2H3.
What are the key properties of 1,3-dibromo-2,5-bis(methoxymethoxy)benzene?
1,3-dibromo-2,5-bis(methoxymethoxy)benzene has a molecular weight of 356.01 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2,5-bis(methoxymethoxy)benzene is sourced from PubChem (CID 21364580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).