3,5-dibromo-2-(2,3,5-tribromophenoxy)phenol

C12H5Br5O2 — CID 102102664

IUPAC3,5-dibromo-2-(2,3,5-tribromophenoxy)phenol
SMILESOc1cc(Br)cc(Br)c1Oc1cc(Br)cc(Br)c1Br
InChIInChI=1S/C12H5Br5O2/c13-5-2-8(16)12(9(18)3-5)19-10-4-6(14)1-7(15)11(10)17/h1-4,18H
InChIKeyLNZBRHBHVLZPKZ-UHFFFAOYSA-N
MW580.69 g/mol
LogP7.00
Rot. Bonds2

About 3,5-dibromo-2-(2,3,5-tribromophenoxy)phenol

3,5-dibromo-2-(2,3,5-tribromophenoxy)phenol (PubChem CID 102102664) has the molecular formula C12H5Br5O2 and a molecular weight of 580.69 g/mol. Its IUPAC name is 3,5-dibromo-2-(2,3,5-tribromophenoxy)phenol.

Molecular Properties

Compound Name3,5-dibromo-2-(2,3,5-tribromophenoxy)phenol
PubChem CID102102664
Molecular FormulaC12H5Br5O2
Molecular Weight580.69 g/mol
Exact Mass575.62
IUPAC Name3,5-dibromo-2-(2,3,5-tribromophenoxy)phenol
SMILESOc1cc(Br)cc(Br)c1Oc1cc(Br)cc(Br)c1Br
InChIInChI=1S/C12H5Br5O2/c13-5-2-8(16)12(9(18)3-5)19-10-4-6(14)1-7(15)11(10)17/h1-4,18H
InChIKeyLNZBRHBHVLZPKZ-UHFFFAOYSA-N
XLogP7.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.69
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 3,5-dibromo-2-(2,3,5-tribromophenoxy)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-(2,3,5-tribromophenoxy)phenol?
The IUPAC name of 3,5-dibromo-2-(2,3,5-tribromophenoxy)phenol (CID 102102664) is 3,5-dibromo-2-(2,3,5-tribromophenoxy)phenol.
What is the SMILES notation for 3,5-dibromo-2-(2,3,5-tribromophenoxy)phenol?
The canonical SMILES for 3,5-dibromo-2-(2,3,5-tribromophenoxy)phenol is Oc1cc(Br)cc(Br)c1Oc1cc(Br)cc(Br)c1Br.
What is the InChIKey of 3,5-dibromo-2-(2,3,5-tribromophenoxy)phenol?
The InChIKey is LNZBRHBHVLZPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Br5O2/c13-5-2-8(16)12(9(18)3-5)19-10-4-6(14)1-7(15)11(10)17/h1-4,18H.
What are the key properties of 3,5-dibromo-2-(2,3,5-tribromophenoxy)phenol?
3,5-dibromo-2-(2,3,5-tribromophenoxy)phenol has a molecular weight of 580.69 g/mol, XLogP of 7.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-(2,3,5-tribromophenoxy)phenol is sourced from PubChem (CID 102102664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).