2,4-dibromo-6-[2-[2-(3,5-dibromo-2-hydroxyphenyl)ethoxy]ethyl]phenol

C16H14Br4O3 — CID 154285316

IUPAC2,4-dibromo-6-[2-[2-(3,5-dibromo-2-hydroxyphenyl)ethoxy]ethyl]phenol
SMILESOc1c(Br)cc(Br)cc1CCOCCc1cc(Br)cc(Br)c1O
InChIInChI=1S/C16H14Br4O3/c17-11-5-9(15(21)13(19)7-11)1-3-23-4-2-10-6-12(18)8-14(20)16(10)22/h5-8,21-22H,1-4H2
InChIKeyFYTGYFIHOPZTEL-UHFFFAOYSA-N
MW573.90 g/mol
LogP5.95
Rot. Bonds6

About 2,4-dibromo-6-[2-[2-(3,5-dibromo-2-hydroxyphenyl)ethoxy]ethyl]phenol

2,4-dibromo-6-[2-[2-(3,5-dibromo-2-hydroxyphenyl)ethoxy]ethyl]phenol (PubChem CID 154285316) has the molecular formula C16H14Br4O3 and a molecular weight of 573.90 g/mol. Its IUPAC name is 2,4-dibromo-6-[2-[2-(3,5-dibromo-2-hydroxyphenyl)ethoxy]ethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[2-[2-(3,5-dibromo-2-hydroxyphenyl)ethoxy]ethyl]phenol
PubChem CID154285316
Molecular FormulaC16H14Br4O3
Molecular Weight573.90 g/mol
Exact Mass569.77
IUPAC Name2,4-dibromo-6-[2-[2-(3,5-dibromo-2-hydroxyphenyl)ethoxy]ethyl]phenol
SMILESOc1c(Br)cc(Br)cc1CCOCCc1cc(Br)cc(Br)c1O
InChIInChI=1S/C16H14Br4O3/c17-11-5-9(15(21)13(19)7-11)1-3-23-4-2-10-6-12(18)8-14(20)16(10)22/h5-8,21-22H,1-4H2
InChIKeyFYTGYFIHOPZTEL-UHFFFAOYSA-N
XLogP5.95
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.90
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[2-[2-(3,5-dibromo-2-hydroxyphenyl)ethoxy]ethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[2-[2-(3,5-dibromo-2-hydroxyphenyl)ethoxy]ethyl]phenol (CID 154285316) is 2,4-dibromo-6-[2-[2-(3,5-dibromo-2-hydroxyphenyl)ethoxy]ethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[2-[2-(3,5-dibromo-2-hydroxyphenyl)ethoxy]ethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[2-[2-(3,5-dibromo-2-hydroxyphenyl)ethoxy]ethyl]phenol is Oc1c(Br)cc(Br)cc1CCOCCc1cc(Br)cc(Br)c1O.
What is the InChIKey of 2,4-dibromo-6-[2-[2-(3,5-dibromo-2-hydroxyphenyl)ethoxy]ethyl]phenol?
The InChIKey is FYTGYFIHOPZTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br4O3/c17-11-5-9(15(21)13(19)7-11)1-3-23-4-2-10-6-12(18)8-14(20)16(10)22/h5-8,21-22H,1-4H2.
What are the key properties of 2,4-dibromo-6-[2-[2-(3,5-dibromo-2-hydroxyphenyl)ethoxy]ethyl]phenol?
2,4-dibromo-6-[2-[2-(3,5-dibromo-2-hydroxyphenyl)ethoxy]ethyl]phenol has a molecular weight of 573.90 g/mol, XLogP of 5.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[2-[2-(3,5-dibromo-2-hydroxyphenyl)ethoxy]ethyl]phenol is sourced from PubChem (CID 154285316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).