2,3-dibromo-6-[1-(3,4-dibromo-2-hydroxyphenyl)propyl]phenol

C15H12Br4O2 — CID 68837295

IUPAC2,3-dibromo-6-[1-(3,4-dibromo-2-hydroxyphenyl)propyl]phenol
SMILESCCC(c1ccc(Br)c(Br)c1O)c1ccc(Br)c(Br)c1O
InChIInChI=1S/C15H12Br4O2/c1-2-7(8-3-5-10(16)12(18)14(8)20)9-4-6-11(17)13(19)15(9)21/h3-7,20-21H,2H2,1H3
InChIKeyDKWSLBALJDZLKV-UHFFFAOYSA-N
MW543.88 g/mol
LogP6.69
Rot. Bonds3

About 2,3-dibromo-6-[1-(3,4-dibromo-2-hydroxyphenyl)propyl]phenol

2,3-dibromo-6-[1-(3,4-dibromo-2-hydroxyphenyl)propyl]phenol (PubChem CID 68837295) has the molecular formula C15H12Br4O2 and a molecular weight of 543.88 g/mol. Its IUPAC name is 2,3-dibromo-6-[1-(3,4-dibromo-2-hydroxyphenyl)propyl]phenol.

Molecular Properties

Compound Name2,3-dibromo-6-[1-(3,4-dibromo-2-hydroxyphenyl)propyl]phenol
PubChem CID68837295
Molecular FormulaC15H12Br4O2
Molecular Weight543.88 g/mol
Exact Mass539.76
IUPAC Name2,3-dibromo-6-[1-(3,4-dibromo-2-hydroxyphenyl)propyl]phenol
SMILESCCC(c1ccc(Br)c(Br)c1O)c1ccc(Br)c(Br)c1O
InChIInChI=1S/C15H12Br4O2/c1-2-7(8-3-5-10(16)12(18)14(8)20)9-4-6-11(17)13(19)15(9)21/h3-7,20-21H,2H2,1H3
InChIKeyDKWSLBALJDZLKV-UHFFFAOYSA-N
XLogP6.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.88
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-6-[1-(3,4-dibromo-2-hydroxyphenyl)propyl]phenol?
The IUPAC name of 2,3-dibromo-6-[1-(3,4-dibromo-2-hydroxyphenyl)propyl]phenol (CID 68837295) is 2,3-dibromo-6-[1-(3,4-dibromo-2-hydroxyphenyl)propyl]phenol.
What is the SMILES notation for 2,3-dibromo-6-[1-(3,4-dibromo-2-hydroxyphenyl)propyl]phenol?
The canonical SMILES for 2,3-dibromo-6-[1-(3,4-dibromo-2-hydroxyphenyl)propyl]phenol is CCC(c1ccc(Br)c(Br)c1O)c1ccc(Br)c(Br)c1O.
What is the InChIKey of 2,3-dibromo-6-[1-(3,4-dibromo-2-hydroxyphenyl)propyl]phenol?
The InChIKey is DKWSLBALJDZLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br4O2/c1-2-7(8-3-5-10(16)12(18)14(8)20)9-4-6-11(17)13(19)15(9)21/h3-7,20-21H,2H2,1H3.
What are the key properties of 2,3-dibromo-6-[1-(3,4-dibromo-2-hydroxyphenyl)propyl]phenol?
2,3-dibromo-6-[1-(3,4-dibromo-2-hydroxyphenyl)propyl]phenol has a molecular weight of 543.88 g/mol, XLogP of 6.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-6-[1-(3,4-dibromo-2-hydroxyphenyl)propyl]phenol is sourced from PubChem (CID 68837295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).