2,5-dibromohexoxybenzene

C12H16Br2O — CID 173161444

IUPAC2,5-dibromohexoxybenzene
SMILESCC(Br)CCC(Br)COc1ccccc1
InChIInChI=1S/C12H16Br2O/c1-10(13)7-8-11(14)9-15-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3
InChIKeyWOVSYNHITDXGBC-UHFFFAOYSA-N
MW336.07 g/mol
LogP4.39
Rot. Bonds6

About 2,5-dibromohexoxybenzene

2,5-dibromohexoxybenzene (PubChem CID 173161444) has the molecular formula C12H16Br2O and a molecular weight of 336.07 g/mol. Its IUPAC name is 2,5-dibromohexoxybenzene.

Molecular Properties

Compound Name2,5-dibromohexoxybenzene
PubChem CID173161444
Molecular FormulaC12H16Br2O
Molecular Weight336.07 g/mol
Exact Mass333.96
IUPAC Name2,5-dibromohexoxybenzene
SMILESCC(Br)CCC(Br)COc1ccccc1
InChIInChI=1S/C12H16Br2O/c1-10(13)7-8-11(14)9-15-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3
InChIKeyWOVSYNHITDXGBC-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2,5-dibromohexoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-bromo-3-fluoropropoxy)benzene
CID 101027846
(4-bromo-5-methoxypentoxy)benzene
CID 62320030
CID 142401703
CID 142401703
(2-bromo-2-fluoroethoxy)benzene
CID 175098027
ethane;1-phenoxypropan-2-ol
CID 90926921
3-methyl-2-(phenoxymethyl)butan-1-ol
CID 15214280
(2S,3R)-1-phenoxybutane-2,3-diol
CID 91592541
(2R,3S)-1-phenoxybutane-2,3-diol
CID 91247113
2,3-difluorobutoxybenzene
CID 53412752
anisole;(4-bromo-2-methylbutoxy)benzene
CID 174371067
amino(1-phenoxypropan-2-yl)azanium
CID 20838095
(2S)-2-methyl-3-phenoxypropanoic acid
CID 11367349

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromohexoxybenzene?
The IUPAC name of 2,5-dibromohexoxybenzene (CID 173161444) is 2,5-dibromohexoxybenzene.
What is the SMILES notation for 2,5-dibromohexoxybenzene?
The canonical SMILES for 2,5-dibromohexoxybenzene is CC(Br)CCC(Br)COc1ccccc1.
What is the InChIKey of 2,5-dibromohexoxybenzene?
The InChIKey is WOVSYNHITDXGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2O/c1-10(13)7-8-11(14)9-15-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3.
What are the key properties of 2,5-dibromohexoxybenzene?
2,5-dibromohexoxybenzene has a molecular weight of 336.07 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromohexoxybenzene is sourced from PubChem (CID 173161444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).