2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate

C15H21BrO7 — CID 153491025

IUPAC2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
SMILESO=C(O)OCCOCCOCCOCCOc1ccc(Br)cc1
InChIInChI=1S/C15H21BrO7/c16-13-1-3-14(4-2-13)22-11-9-20-7-5-19-6-8-21-10-12-23-15(17)18/h1-4H,5-12H2,(H,17,18)
InChIKeyFZTBZVKKUJSZGY-UHFFFAOYSA-N
MW393.23 g/mol
LogP2.57
Rot. Bonds13

About 2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate

2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate (PubChem CID 153491025) has the molecular formula C15H21BrO7 and a molecular weight of 393.23 g/mol. Its IUPAC name is 2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate.

Molecular Properties

Compound Name2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
PubChem CID153491025
Molecular FormulaC15H21BrO7
Molecular Weight393.23 g/mol
Exact Mass392.05
IUPAC Name2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
SMILESO=C(O)OCCOCCOCCOCCOc1ccc(Br)cc1
InChIInChI=1S/C15H21BrO7/c16-13-1-3-14(4-2-13)22-11-9-20-7-5-19-6-8-21-10-12-23-15(17)18/h1-4H,5-12H2,(H,17,18)
InChIKeyFZTBZVKKUJSZGY-UHFFFAOYSA-N
XLogP2.57
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-bromophenoxy)ethoxy]benzoic acid
CID 20984535
2-(4-bromophenoxy)ethyl prop-2-enoate
CID 141115524
4-O-[2-(4-bromophenoxy)ethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55308187
1-bromo-4-[2-[2-(bromomethoxy)ethoxy]ethoxy]benzene
CID 172635256
1-bromo-4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]benzene
CID 146502116
2-amino-5-[2-(4-bromophenoxy)ethoxy]benzoic acid
CID 107077092
[4-[2-(4-bromophenoxy)ethoxy]phenyl]-phenylmethanone
CID 7717760
2-(4-bromophenoxy)ethyl 4-aminobenzoate
CID 60643099
2-(4-bromophenoxy)ethyl 2-(4-chlorophenoxy)acetate
CID 2363711
2-(4-bromophenoxy)ethyl 4-oxo-4-phenylbutanoate
CID 55324989
2-[2-[2-(4-bromophenoxy)ethoxy]ethylamino]ethanol;oxalic acid
CID 2869727
2-[2-(4-bromophenoxy)ethylamino]oxyacetamide
CID 112674010

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate?
The IUPAC name of 2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate (CID 153491025) is 2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate.
What is the SMILES notation for 2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate?
The canonical SMILES for 2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate is O=C(O)OCCOCCOCCOCCOc1ccc(Br)cc1.
What is the InChIKey of 2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate?
The InChIKey is FZTBZVKKUJSZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO7/c16-13-1-3-14(4-2-13)22-11-9-20-7-5-19-6-8-21-10-12-23-15(17)18/h1-4H,5-12H2,(H,17,18).
What are the key properties of 2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate?
2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate has a molecular weight of 393.23 g/mol, XLogP of 2.57, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate is sourced from PubChem (CID 153491025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).