1,5-dibromo-2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene

C15H22Br2O5 — CID 171472574

IUPAC1,5-dibromo-2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
SMILESCCOc1cc(OCCOCCOCCOC)c(Br)cc1Br
InChIInChI=1S/C15H22Br2O5/c1-3-21-14-11-15(13(17)10-12(14)16)22-9-8-20-7-6-19-5-4-18-2/h10-11H,3-9H2,1-2H3
InChIKeyGOEHNZAWDZENRP-UHFFFAOYSA-N
MW442.14 g/mol
LogP3.67
Rot. Bonds12

About 1,5-dibromo-2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene

1,5-dibromo-2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene (PubChem CID 171472574) has the molecular formula C15H22Br2O5 and a molecular weight of 442.14 g/mol. Its IUPAC name is 1,5-dibromo-2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name1,5-dibromo-2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
PubChem CID171472574
Molecular FormulaC15H22Br2O5
Molecular Weight442.14 g/mol
Exact Mass439.98
IUPAC Name1,5-dibromo-2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
SMILESCCOc1cc(OCCOCCOCCOC)c(Br)cc1Br
InChIInChI=1S/C15H22Br2O5/c1-3-21-14-11-15(13(17)10-12(14)16)22-9-8-20-7-6-19-5-4-18-2/h10-11H,3-9H2,1-2H3
InChIKeyGOEHNZAWDZENRP-UHFFFAOYSA-N
XLogP3.67
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.14
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-diiodo-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 67250875
methyl 4-bromo-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoate
CID 170966297
5-bromo-4-[3-(2-methoxyethoxy)propoxy]-2-methylaniline
CID 114048423
3-bromo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzonitrile
CID 104561498
2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene
CID 103409894
2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline
CID 113426736
4-bromo-1-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-ylbenzene
CID 113302957
1-bromo-4-ethynyl-2,5-bis(2-methoxyethoxy)benzene
CID 89473205
3-bromo-5-ethoxy-4-(2-methoxyethoxy)benzoic acid
CID 43627109
4-ethoxy-5-fluoro-2-(2-methoxyethoxy)aniline
CID 63593955
1-(5-bromo-2,4-diethoxyphenyl)ethanone
CID 17245123
(1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
CID 104564070

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene?
The IUPAC name of 1,5-dibromo-2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene (CID 171472574) is 1,5-dibromo-2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene.
What is the SMILES notation for 1,5-dibromo-2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene?
The canonical SMILES for 1,5-dibromo-2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene is CCOc1cc(OCCOCCOCCOC)c(Br)cc1Br.
What is the InChIKey of 1,5-dibromo-2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene?
The InChIKey is GOEHNZAWDZENRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Br2O5/c1-3-21-14-11-15(13(17)10-12(14)16)22-9-8-20-7-6-19-5-4-18-2/h10-11H,3-9H2,1-2H3.
What are the key properties of 1,5-dibromo-2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene?
1,5-dibromo-2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene has a molecular weight of 442.14 g/mol, XLogP of 3.67, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene is sourced from PubChem (CID 171472574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).