1-bromo-4-(1-bromoethoxy)benzene

C8H8Br2O — CID 68938279

IUPAC1-bromo-4-(1-bromoethoxy)benzene
SMILESCC(Br)Oc1ccc(Br)cc1
InChIInChI=1S/C8H8Br2O/c1-6(9)11-8-4-2-7(10)3-5-8/h2-6H,1H3
InChIKeyVEGLMDQVKNFRIR-UHFFFAOYSA-N
MW279.96 g/mol
LogP3.57
Rot. Bonds2

About 1-bromo-4-(1-bromoethoxy)benzene

1-bromo-4-(1-bromoethoxy)benzene (PubChem CID 68938279) has the molecular formula C8H8Br2O and a molecular weight of 279.96 g/mol. Its IUPAC name is 1-bromo-4-(1-bromoethoxy)benzene.

Molecular Properties

Compound Name1-bromo-4-(1-bromoethoxy)benzene
PubChem CID68938279
Molecular FormulaC8H8Br2O
Molecular Weight279.96 g/mol
Exact Mass277.89
IUPAC Name1-bromo-4-(1-bromoethoxy)benzene
SMILESCC(Br)Oc1ccc(Br)cc1
InChIInChI=1S/C8H8Br2O/c1-6(9)11-8-4-2-7(10)3-5-8/h2-6H,1H3
InChIKeyVEGLMDQVKNFRIR-UHFFFAOYSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.96
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-(1-chloroethoxy)benzene
CID 57374070
1-bromo-4-(4-propan-2-yloxyphenyl)sulfanylbenzene
CID 137385958
2-(4-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 62454236
(2R)-2-(4-bromophenoxy)propanamide
CID 974910
1-bromo-4-(1-cyclohexylethoxy)benzene
CID 68813253
methyl 2-bromo-2-(4-bromophenoxy)acetate
CID 154287154
2-[4-(4-bromophenoxy)phenoxy]propan-1-ol
CID 21408033
3-[4-(4-bromophenyl)phenoxy]butan-2-one
CID 62033260
2-[2-(4-bromophenoxy)propanoylamino]propanoic acid
CID 18837935
4-[1-(4-bromophenoxy)ethyl]morpholine
CID 18446587
[3-acetyloxy-2-(4-bromophenoxy)propyl] acetate
CID 125479775
1-bromo-4-(4-bromophenoxy)benzene
CID 16305

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(1-bromoethoxy)benzene?
The IUPAC name of 1-bromo-4-(1-bromoethoxy)benzene (CID 68938279) is 1-bromo-4-(1-bromoethoxy)benzene.
What is the SMILES notation for 1-bromo-4-(1-bromoethoxy)benzene?
The canonical SMILES for 1-bromo-4-(1-bromoethoxy)benzene is CC(Br)Oc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(1-bromoethoxy)benzene?
The InChIKey is VEGLMDQVKNFRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2O/c1-6(9)11-8-4-2-7(10)3-5-8/h2-6H,1H3.
What are the key properties of 1-bromo-4-(1-bromoethoxy)benzene?
1-bromo-4-(1-bromoethoxy)benzene has a molecular weight of 279.96 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(1-bromoethoxy)benzene is sourced from PubChem (CID 68938279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).