3-bromo-4-(3-bromo-4-hydroxyphenoxy)phenol

C12H8Br2O3 — CID 18930859

IUPAC3-bromo-4-(3-bromo-4-hydroxyphenoxy)phenol
SMILESOc1ccc(Oc2ccc(O)c(Br)c2)c(Br)c1
InChIInChI=1S/C12H8Br2O3/c13-9-6-8(2-3-11(9)16)17-12-4-1-7(15)5-10(12)14/h1-6,15-16H
InChIKeyJVHXCYSHCOHTAL-UHFFFAOYSA-N
MW360.00 g/mol
LogP4.42
Rot. Bonds2

About 3-bromo-4-(3-bromo-4-hydroxyphenoxy)phenol

3-bromo-4-(3-bromo-4-hydroxyphenoxy)phenol (PubChem CID 18930859) has the molecular formula C12H8Br2O3 and a molecular weight of 360.00 g/mol. Its IUPAC name is 3-bromo-4-(3-bromo-4-hydroxyphenoxy)phenol.

Molecular Properties

Compound Name3-bromo-4-(3-bromo-4-hydroxyphenoxy)phenol
PubChem CID18930859
Molecular FormulaC12H8Br2O3
Molecular Weight360.00 g/mol
Exact Mass357.88
IUPAC Name3-bromo-4-(3-bromo-4-hydroxyphenoxy)phenol
SMILESOc1ccc(Oc2ccc(O)c(Br)c2)c(Br)c1
InChIInChI=1S/C12H8Br2O3/c13-9-6-8(2-3-11(9)16)17-12-4-1-7(15)5-10(12)14/h1-6,15-16H
InChIKeyJVHXCYSHCOHTAL-UHFFFAOYSA-N
XLogP4.42
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.00
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(3-bromo-4-hydroxyphenoxy)phenol?
The IUPAC name of 3-bromo-4-(3-bromo-4-hydroxyphenoxy)phenol (CID 18930859) is 3-bromo-4-(3-bromo-4-hydroxyphenoxy)phenol.
What is the SMILES notation for 3-bromo-4-(3-bromo-4-hydroxyphenoxy)phenol?
The canonical SMILES for 3-bromo-4-(3-bromo-4-hydroxyphenoxy)phenol is Oc1ccc(Oc2ccc(O)c(Br)c2)c(Br)c1.
What is the InChIKey of 3-bromo-4-(3-bromo-4-hydroxyphenoxy)phenol?
The InChIKey is JVHXCYSHCOHTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2O3/c13-9-6-8(2-3-11(9)16)17-12-4-1-7(15)5-10(12)14/h1-6,15-16H.
What are the key properties of 3-bromo-4-(3-bromo-4-hydroxyphenoxy)phenol?
3-bromo-4-(3-bromo-4-hydroxyphenoxy)phenol has a molecular weight of 360.00 g/mol, XLogP of 4.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(3-bromo-4-hydroxyphenoxy)phenol is sourced from PubChem (CID 18930859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).