4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene

C28H40Br2O2 — CID 169014033

IUPAC4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene
SMILESCCCCC(CC)COc1ccc(Br)cc1-c1cc(Br)ccc1OCC(CC)CCCC
InChIInChI=1S/C28H40Br2O2/c1-5-9-11-21(7-3)19-31-27-15-13-23(29)17-25(27)26-18-24(30)14-16-28(26)32-20-22(8-4)12-10-6-2/h13-18,21-22H,5-12,19-20H2,1-4H3
InChIKeyPDWJXMFQWFSOCQ-UHFFFAOYSA-N
MW568.43 g/mol
LogP10.07
Rot. Bonds15

About 4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene

4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene (PubChem CID 169014033) has the molecular formula C28H40Br2O2 and a molecular weight of 568.43 g/mol. Its IUPAC name is 4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene.

Molecular Properties

Compound Name4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene
PubChem CID169014033
Molecular FormulaC28H40Br2O2
Molecular Weight568.43 g/mol
Exact Mass566.14
IUPAC Name4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene
SMILESCCCCC(CC)COc1ccc(Br)cc1-c1cc(Br)ccc1OCC(CC)CCCC
InChIInChI=1S/C28H40Br2O2/c1-5-9-11-21(7-3)19-31-27-15-13-23(29)17-25(27)26-18-24(30)14-16-28(26)32-20-22(8-4)12-10-6-2/h13-18,21-22H,5-12,19-20H2,1-4H3
InChIKeyPDWJXMFQWFSOCQ-UHFFFAOYSA-N
XLogP10.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.43
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene 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

1-[5-bromo-2-(2-ethylhexoxy)phenyl]butan-2-amine
CID 63420992
1-[5-bromo-2-(2-ethylhexoxy)phenyl]ethanone
CID 63530428
5-bromo-2-(2-ethylhexoxy)benzenecarbothioamide
CID 83144919
1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene
CID 71351015
[3-bromo-4-(2-ethylhexoxy)phenyl]methanol
CID 63533684
4-bromo-2-(2-ethylhexoxy)benzenecarboximidamide
CID 114904815
3-bromo-4-(2-ethylhexoxy)benzonitrile
CID 82797324
2-[2,5-bis(bromomethyl)phenyl]-1,4-bis(2-ethylhexoxy)benzene
CID 101028843
1,2,3,4,5-pentakis(2-ethylhexoxy)benzene
CID 90923356
1-[(E)-2-(4-bromophenyl)ethenyl]-5-[(2S)-2-ethylhexoxy]-2-[(2R)-2-ethylhexoxy]-4-[(E)-2-phenylethenyl]benzene
CID 135816764
N-(4-bromophenyl)-4-[(2R)-2-ethylhexoxy]-N-[4-[(2R)-2-ethylhexoxy]phenyl]aniline
CID 98047352
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene?
The IUPAC name of 4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene (CID 169014033) is 4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene.
What is the SMILES notation for 4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene?
The canonical SMILES for 4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene is CCCCC(CC)COc1ccc(Br)cc1-c1cc(Br)ccc1OCC(CC)CCCC.
What is the InChIKey of 4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene?
The InChIKey is PDWJXMFQWFSOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40Br2O2/c1-5-9-11-21(7-3)19-31-27-15-13-23(29)17-25(27)26-18-24(30)14-16-28(26)32-20-22(8-4)12-10-6-2/h13-18,21-22H,5-12,19-20H2,1-4H3.
What are the key properties of 4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene?
4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene has a molecular weight of 568.43 g/mol, XLogP of 10.07, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene is sourced from PubChem (CID 169014033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).