1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene

C22H36Br2O2 — CID 71351015

IUPAC1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene
SMILESCCCCC(CC)COc1cc(Br)c(Br)cc1OCC(CC)CCCC
InChIInChI=1S/C22H36Br2O2/c1-5-9-11-17(7-3)15-25-21-13-19(23)20(24)14-22(21)26-16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3
InChIKeyCXUXBXXIAIQJGV-UHFFFAOYSA-N
MW492.34 g/mol
LogP8.40
Rot. Bonds14

About 1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene

1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene (PubChem CID 71351015) has the molecular formula C22H36Br2O2 and a molecular weight of 492.34 g/mol. Its IUPAC name is 1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene.

Molecular Properties

Compound Name1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene
PubChem CID71351015
Molecular FormulaC22H36Br2O2
Molecular Weight492.34 g/mol
Exact Mass490.11
IUPAC Name1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene
SMILESCCCCC(CC)COc1cc(Br)c(Br)cc1OCC(CC)CCCC
InChIInChI=1S/C22H36Br2O2/c1-5-9-11-17(7-3)15-25-21-13-19(23)20(24)14-22(21)26-16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3
InChIKeyCXUXBXXIAIQJGV-UHFFFAOYSA-N
XLogP8.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.34
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-bromo-4-(2-ethylhexoxy)phenyl]methanol
CID 63533684
4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene
CID 169014033
1,2,3,4,5-pentakis(2-ethylhexoxy)benzene
CID 90923356
3-bromo-4-(2-ethylhexoxy)benzonitrile
CID 82797324
1-bromo-3-(2-ethylhexoxy)-2-phenylbenzene
CID 172726737
3-bromo-2-(2-ethylhexoxy)-5-methylpyridine
CID 105368253
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
3-bromo-4-(2-ethylhexoxy)-N'-hydroxybenzenecarboximidamide
CID 82798762
5-bromo-2-(2-ethylhexoxy)benzenecarbothioamide
CID 83144919
1-[5-bromo-2-(2-ethylhexoxy)phenyl]ethanone
CID 63530428
1-[5-bromo-2-(2-ethylhexoxy)phenyl]butan-2-amine
CID 63420992
14,15-bis(2-ethylhexoxy)-4,9-dimethyl-5,8-dithiatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaene
CID 90361979

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene?
The IUPAC name of 1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene (CID 71351015) is 1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene.
What is the SMILES notation for 1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene?
The canonical SMILES for 1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene is CCCCC(CC)COc1cc(Br)c(Br)cc1OCC(CC)CCCC.
What is the InChIKey of 1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene?
The InChIKey is CXUXBXXIAIQJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36Br2O2/c1-5-9-11-17(7-3)15-25-21-13-19(23)20(24)14-22(21)26-16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3.
What are the key properties of 1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene?
1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene has a molecular weight of 492.34 g/mol, XLogP of 8.40, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene is sourced from PubChem (CID 71351015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).