5,6-dibromohexoxybenzene

C12H16Br2O — CID 91189511

IUPAC5,6-dibromohexoxybenzene
SMILESBrCC(Br)CCCCOc1ccccc1
InChIInChI=1S/C12H16Br2O/c13-10-11(14)6-4-5-9-15-12-7-2-1-3-8-12/h1-3,7-8,11H,4-6,9-10H2
InChIKeyCSVAFEZCEPALJE-UHFFFAOYSA-N
MW336.07 g/mol
LogP4.39
Rot. Bonds7

About 5,6-dibromohexoxybenzene

5,6-dibromohexoxybenzene (PubChem CID 91189511) has the molecular formula C12H16Br2O and a molecular weight of 336.07 g/mol. Its IUPAC name is 5,6-dibromohexoxybenzene.

Molecular Properties

Compound Name5,6-dibromohexoxybenzene
PubChem CID91189511
Molecular FormulaC12H16Br2O
Molecular Weight336.07 g/mol
Exact Mass333.96
IUPAC Name5,6-dibromohexoxybenzene
SMILESBrCC(Br)CCCCOc1ccccc1
InChIInChI=1S/C12H16Br2O/c13-10-11(14)6-4-5-9-15-12-7-2-1-3-8-12/h1-3,7-8,11H,4-6,9-10H2
InChIKeyCSVAFEZCEPALJE-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.07
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-bromo-5-methoxypentoxy)benzene
CID 62320030
(5-bromo-5-cyclopropylpentoxy)benzene
CID 63470935
7,7-dichloroheptoxybenzene
CID 90974620
(1-bromo-5-phenoxypentan-2-yl)benzene
CID 66042259
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
bis(2,3-dibromopropyl) 2-phenoxyethyl phosphate
CID 154107096
6-phenoxyhexyl(triphenyl)phosphanium
CID 71515133
6-ethenyloct-7-enoxybenzene
CID 66961410
10-methyldodecoxybenzene
CID 143389992
(2R)-2-amino-7-phenoxyheptane-1-thiol
CID 87875923
2-amino-6-phenoxyhexane-1-thiol;hydrochloride
CID 10220869
6-phenoxy-2-phenylhexan-1-amine
CID 79015445

Frequently Asked Questions

What is the IUPAC name of 5,6-dibromohexoxybenzene?
The IUPAC name of 5,6-dibromohexoxybenzene (CID 91189511) is 5,6-dibromohexoxybenzene.
What is the SMILES notation for 5,6-dibromohexoxybenzene?
The canonical SMILES for 5,6-dibromohexoxybenzene is BrCC(Br)CCCCOc1ccccc1.
What is the InChIKey of 5,6-dibromohexoxybenzene?
The InChIKey is CSVAFEZCEPALJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2O/c13-10-11(14)6-4-5-9-15-12-7-2-1-3-8-12/h1-3,7-8,11H,4-6,9-10H2.
What are the key properties of 5,6-dibromohexoxybenzene?
5,6-dibromohexoxybenzene has a molecular weight of 336.07 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromohexoxybenzene is sourced from PubChem (CID 91189511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).