2-[2-[2-[2-(2,5-dibromophenoxy)ethoxy]ethoxy]ethoxy]ethanol

C14H20Br2O5 — CID 53338792

IUPAC2-[2-[2-[2-(2,5-dibromophenoxy)ethoxy]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOCCOc1cc(Br)ccc1Br
InChIInChI=1S/C14H20Br2O5/c15-12-1-2-13(16)14(11-12)21-10-9-20-8-7-19-6-5-18-4-3-17/h1-2,11,17H,3-10H2
InChIKeyKYZLDRGPMBPPPI-UHFFFAOYSA-N
MW428.12 g/mol
LogP2.63
Rot. Bonds12

About 2-[2-[2-[2-(2,5-dibromophenoxy)ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-(2,5-dibromophenoxy)ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 53338792) has the molecular formula C14H20Br2O5 and a molecular weight of 428.12 g/mol. Its IUPAC name is 2-[2-[2-[2-(2,5-dibromophenoxy)ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-(2,5-dibromophenoxy)ethoxy]ethoxy]ethoxy]ethanol
PubChem CID53338792
Molecular FormulaC14H20Br2O5
Molecular Weight428.12 g/mol
Exact Mass425.97
IUPAC Name2-[2-[2-[2-(2,5-dibromophenoxy)ethoxy]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOCCOc1cc(Br)ccc1Br
InChIInChI=1S/C14H20Br2O5/c15-12-1-2-13(16)14(11-12)21-10-9-20-8-7-19-6-5-18-4-3-17/h1-2,11,17H,3-10H2
InChIKeyKYZLDRGPMBPPPI-UHFFFAOYSA-N
XLogP2.63
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.12
LogP ≤ 52.63
H-Bond Donors ≤ 51
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-dibromo-2-[2-(2,4-dibromophenoxy)ethoxy]benzene
CID 59907339
4-[2-[2-[2-[2-(2,5-dibromophenoxy)ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoic acid
CID 53338797
2-[2-[4-bromo-2-(ethylaminomethyl)phenoxy]ethoxy]ethanol
CID 61069948
1,4-dibromo-2-butoxybenzene
CID 69260452
2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol
CID 89126006
1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene
CID 59330950
2-[2-(2-bromo-4-propan-2-ylphenoxy)ethoxy]ethanol
CID 167865489
2-[2-[4,5-diamino-2-[2-(2-hydroxyethoxy)ethoxy]phenoxy]ethoxy]ethanol
CID 163651325
2-(4-bromo-2-chlorophenoxy)ethanol
CID 23090761
methyl 4-bromo-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoate
CID 170966297
1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanone
CID 113427004
2-[2-(3-bromo-4-fluorophenoxy)ethoxy]ethanol
CID 83236273

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2,5-dibromophenoxy)ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-(2,5-dibromophenoxy)ethoxy]ethoxy]ethoxy]ethanol (CID 53338792) is 2-[2-[2-[2-(2,5-dibromophenoxy)ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-(2,5-dibromophenoxy)ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-(2,5-dibromophenoxy)ethoxy]ethoxy]ethoxy]ethanol is OCCOCCOCCOCCOc1cc(Br)ccc1Br.
What is the InChIKey of 2-[2-[2-[2-(2,5-dibromophenoxy)ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is KYZLDRGPMBPPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2O5/c15-12-1-2-13(16)14(11-12)21-10-9-20-8-7-19-6-5-18-4-3-17/h1-2,11,17H,3-10H2.
What are the key properties of 2-[2-[2-[2-(2,5-dibromophenoxy)ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-(2,5-dibromophenoxy)ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 428.12 g/mol, XLogP of 2.63, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2,5-dibromophenoxy)ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 53338792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).