2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)-5-propan-2-ylphenyl]propan-2-yl]-6-propan-2-ylphenoxy]ethanol

C25H34Br2O4 — CID 176584525

IUPAC2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)-5-propan-2-ylphenyl]propan-2-yl]-6-propan-2-ylphenoxy]ethanol
SMILESCC(C)c1cc(C(C)(C)c2cc(Br)c(OCCO)c(C(C)C)c2)cc(Br)c1OCCO
InChIInChI=1S/C25H34Br2O4/c1-15(2)19-11-17(13-21(26)23(19)30-9-7-28)25(5,6)18-12-20(16(3)4)24(22(27)14-18)31-10-8-29/h11-16,28-29H,7-10H2,1-6H3
InChIKeyHEMQWPIGFIDZAO-UHFFFAOYSA-N
MW558.35 g/mol
LogP6.53
Rot. Bonds10

About 2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)-5-propan-2-ylphenyl]propan-2-yl]-6-propan-2-ylphenoxy]ethanol

2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)-5-propan-2-ylphenyl]propan-2-yl]-6-propan-2-ylphenoxy]ethanol (PubChem CID 176584525) has the molecular formula C25H34Br2O4 and a molecular weight of 558.35 g/mol. Its IUPAC name is 2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)-5-propan-2-ylphenyl]propan-2-yl]-6-propan-2-ylphenoxy]ethanol.

Molecular Properties

Compound Name2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)-5-propan-2-ylphenyl]propan-2-yl]-6-propan-2-ylphenoxy]ethanol
PubChem CID176584525
Molecular FormulaC25H34Br2O4
Molecular Weight558.35 g/mol
Exact Mass556.08
IUPAC Name2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)-5-propan-2-ylphenyl]propan-2-yl]-6-propan-2-ylphenoxy]ethanol
SMILESCC(C)c1cc(C(C)(C)c2cc(Br)c(OCCO)c(C(C)C)c2)cc(Br)c1OCCO
InChIInChI=1S/C25H34Br2O4/c1-15(2)19-11-17(13-21(26)23(19)30-9-7-28)25(5,6)18-12-20(16(3)4)24(22(27)14-18)31-10-8-29/h11-16,28-29H,7-10H2,1-6H3
InChIKeyHEMQWPIGFIDZAO-UHFFFAOYSA-N
XLogP6.53
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.35
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)-5-propan-2-ylphenyl]propan-2-yl]-6-propan-2-ylphenoxy]ethanol 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-[4-[2-[4-(2-hydroxyethoxy)-3,5-di(propan-2-yl)phenyl]-4-methylpentan-2-yl]-2,6-di(propan-2-yl)phenoxy]ethanol
CID 21257903
5-[4-[2-[4-(4-aminopentoxy)-3,5-dibromophenyl]propan-2-yl]-2,6-dibromophenoxy]pentan-2-amine
CID 101327185
2-[4-[2-[3,5-difluoro-4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2,6-difluorophenoxy]ethanol
CID 139831995
2-[2,6-dibromo-4-[1-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]-1-phenylpropyl]phenoxy]ethanol
CID 160667557
2-[4-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenoxy]ethanol
CID 21257879
1,3-dibromo-5-[2-(3,5-dibromo-4-hex-5-enoxyphenyl)propan-2-yl]-2-hex-5-enoxybenzene
CID 59551592
1,3-dibromo-5-[2-(3,5-dibromo-4-ethoxyphenyl)propan-2-yl]-2-methylbenzene;bis(2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol)
CID 164990435
CID 161016170
CID 161016170
2-[4-[1-[4-(2-hydroxyethoxy)-3,5-di(propan-2-yl)phenyl]cycloheptyl]-2,6-di(propan-2-yl)phenoxy]ethanol
CID 21257888
2-[4-[2-[4-(2-hydroxyethoxy)-3,5-bis(2-methylpropyl)phenyl]-4-methylpentan-2-yl]-2,6-bis(2-methylpropyl)phenoxy]ethanol
CID 139685226
2-[[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 160813458
(2R)-1-(azepan-1-yl)-3-[4-[2-[4-[(2R)-3-(azepan-1-yl)-2-hydroxypropoxy]-3,5-dibromophenyl]propan-2-yl]-2,6-dibromophenoxy]propan-2-ol
CID 99652347

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)-5-propan-2-ylphenyl]propan-2-yl]-6-propan-2-ylphenoxy]ethanol?
The IUPAC name of 2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)-5-propan-2-ylphenyl]propan-2-yl]-6-propan-2-ylphenoxy]ethanol (CID 176584525) is 2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)-5-propan-2-ylphenyl]propan-2-yl]-6-propan-2-ylphenoxy]ethanol.
What is the SMILES notation for 2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)-5-propan-2-ylphenyl]propan-2-yl]-6-propan-2-ylphenoxy]ethanol?
The canonical SMILES for 2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)-5-propan-2-ylphenyl]propan-2-yl]-6-propan-2-ylphenoxy]ethanol is CC(C)c1cc(C(C)(C)c2cc(Br)c(OCCO)c(C(C)C)c2)cc(Br)c1OCCO.
What is the InChIKey of 2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)-5-propan-2-ylphenyl]propan-2-yl]-6-propan-2-ylphenoxy]ethanol?
The InChIKey is HEMQWPIGFIDZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34Br2O4/c1-15(2)19-11-17(13-21(26)23(19)30-9-7-28)25(5,6)18-12-20(16(3)4)24(22(27)14-18)31-10-8-29/h11-16,28-29H,7-10H2,1-6H3.
What are the key properties of 2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)-5-propan-2-ylphenyl]propan-2-yl]-6-propan-2-ylphenoxy]ethanol?
2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)-5-propan-2-ylphenyl]propan-2-yl]-6-propan-2-ylphenoxy]ethanol has a molecular weight of 558.35 g/mol, XLogP of 6.53, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)-5-propan-2-ylphenyl]propan-2-yl]-6-propan-2-ylphenoxy]ethanol is sourced from PubChem (CID 176584525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).