2-[2,6-dibromo-4-[1-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]-1-phenylpropyl]phenoxy]ethanol

C25H24Br4O4 — CID 160667557

IUPAC2-[2,6-dibromo-4-[1-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]-1-phenylpropyl]phenoxy]ethanol
SMILESCCC(c1ccccc1)(c1cc(Br)c(OCCO)c(Br)c1)c1cc(Br)c(OCCO)c(Br)c1
InChIInChI=1S/C25H24Br4O4/c1-2-25(16-6-4-3-5-7-16,17-12-19(26)23(20(27)13-17)32-10-8-30)18-14-21(28)24(22(29)15-18)33-11-9-31/h3-7,12-15,30-31H,2,8-11H2,1H3
InChIKeyRMMUUKSTAQREJF-UHFFFAOYSA-N
MW708.08 g/mol
LogP7.22
Rot. Bonds10

About 2-[2,6-dibromo-4-[1-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]-1-phenylpropyl]phenoxy]ethanol

2-[2,6-dibromo-4-[1-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]-1-phenylpropyl]phenoxy]ethanol (PubChem CID 160667557) has the molecular formula C25H24Br4O4 and a molecular weight of 708.08 g/mol. Its IUPAC name is 2-[2,6-dibromo-4-[1-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]-1-phenylpropyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2,6-dibromo-4-[1-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]-1-phenylpropyl]phenoxy]ethanol
PubChem CID160667557
Molecular FormulaC25H24Br4O4
Molecular Weight708.08 g/mol
Exact Mass703.84
IUPAC Name2-[2,6-dibromo-4-[1-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]-1-phenylpropyl]phenoxy]ethanol
SMILESCCC(c1ccccc1)(c1cc(Br)c(OCCO)c(Br)c1)c1cc(Br)c(OCCO)c(Br)c1
InChIInChI=1S/C25H24Br4O4/c1-2-25(16-6-4-3-5-7-16,17-12-19(26)23(20(27)13-17)32-10-8-30)18-14-21(28)24(22(29)15-18)33-11-9-31/h3-7,12-15,30-31H,2,8-11H2,1H3
InChIKeyRMMUUKSTAQREJF-UHFFFAOYSA-N
XLogP7.22
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.08
LogP ≤ 57.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1,3-dibromo-2-but-3-enoxy-5-[1-(3,5-dibromo-4-but-3-enoxyphenyl)-1-phenylethyl]benzene
CID 59168498
2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)-5-propan-2-ylphenyl]propan-2-yl]-6-propan-2-ylphenoxy]ethanol
CID 176584525
[3,5-dibromo-4-(2-phenylethoxy)phenyl]methanol
CID 107739120
heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol
CID 159570808
1-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylbutan-1-ol
CID 20558061
2-[4-[2-ethyl-1-[4-(2-hydroxyethoxy)phenyl]-1-phenylbutyl]phenoxy]ethanol
CID 139685238
2-[1-(2-hydroxyethoxy)-1-phenylethoxy]ethanol
CID 139725286
3-bromo-2-(2-hydroxyethoxy)benzoic acid
CID 61391225
(3,5-dibromo-4-butoxyphenyl)methanol
CID 107738793
2-[4-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenoxy]ethanol
CID 21257879
2-[1-(2-hydroxyethoxy)-1,2-diphenylpropoxy]ethanol
CID 70602135
1-phenyl-3-(2,4,6-tribromophenoxy)propan-1-one
CID 116692098

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dibromo-4-[1-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]-1-phenylpropyl]phenoxy]ethanol?
The IUPAC name of 2-[2,6-dibromo-4-[1-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]-1-phenylpropyl]phenoxy]ethanol (CID 160667557) is 2-[2,6-dibromo-4-[1-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]-1-phenylpropyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2,6-dibromo-4-[1-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]-1-phenylpropyl]phenoxy]ethanol?
The canonical SMILES for 2-[2,6-dibromo-4-[1-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]-1-phenylpropyl]phenoxy]ethanol is CCC(c1ccccc1)(c1cc(Br)c(OCCO)c(Br)c1)c1cc(Br)c(OCCO)c(Br)c1.
What is the InChIKey of 2-[2,6-dibromo-4-[1-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]-1-phenylpropyl]phenoxy]ethanol?
The InChIKey is RMMUUKSTAQREJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Br4O4/c1-2-25(16-6-4-3-5-7-16,17-12-19(26)23(20(27)13-17)32-10-8-30)18-14-21(28)24(22(29)15-18)33-11-9-31/h3-7,12-15,30-31H,2,8-11H2,1H3.
What are the key properties of 2-[2,6-dibromo-4-[1-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]-1-phenylpropyl]phenoxy]ethanol?
2-[2,6-dibromo-4-[1-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]-1-phenylpropyl]phenoxy]ethanol has a molecular weight of 708.08 g/mol, XLogP of 7.22, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dibromo-4-[1-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]-1-phenylpropyl]phenoxy]ethanol is sourced from PubChem (CID 160667557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).