4-chlorophenol;3,5-dibromophenol

C12H9Br2ClO2 — CID 20553878

IUPAC4-chlorophenol;3,5-dibromophenol
SMILESOc1cc(Br)cc(Br)c1.Oc1ccc(Cl)cc1
InChIInChI=1S/C6H4Br2O.C6H5ClO/c7-4-1-5(8)3-6(9)2-4;7-5-1-3-6(8)4-2-5/h1-3,9H;1-4,8H
InChIKeyMFUHBXZIZGMUNT-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.96
Rot. Bonds

About 4-chlorophenol;3,5-dibromophenol

4-chlorophenol;3,5-dibromophenol (PubChem CID 20553878) has the molecular formula C12H9Br2ClO2 and a molecular weight of 380.46 g/mol. Its IUPAC name is 4-chlorophenol;3,5-dibromophenol.

Molecular Properties

Compound Name4-chlorophenol;3,5-dibromophenol
PubChem CID20553878
Molecular FormulaC12H9Br2ClO2
Molecular Weight380.46 g/mol
Exact Mass377.87
IUPAC Name4-chlorophenol;3,5-dibromophenol
SMILESOc1cc(Br)cc(Br)c1.Oc1ccc(Cl)cc1
InChIInChI=1S/C6H4Br2O.C6H5ClO/c7-4-1-5(8)3-6(9)2-4;7-5-1-3-6(8)4-2-5/h1-3,9H;1-4,8H
InChIKeyMFUHBXZIZGMUNT-UHFFFAOYSA-N
XLogP4.96
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-chlorophenol;3,5-dibromophenol 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 4-chlorophenol;3,5-dibromophenol?
The IUPAC name of 4-chlorophenol;3,5-dibromophenol (CID 20553878) is 4-chlorophenol;3,5-dibromophenol.
What is the SMILES notation for 4-chlorophenol;3,5-dibromophenol?
The canonical SMILES for 4-chlorophenol;3,5-dibromophenol is Oc1cc(Br)cc(Br)c1.Oc1ccc(Cl)cc1.
What is the InChIKey of 4-chlorophenol;3,5-dibromophenol?
The InChIKey is MFUHBXZIZGMUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2O.C6H5ClO/c7-4-1-5(8)3-6(9)2-4;7-5-1-3-6(8)4-2-5/h1-3,9H;1-4,8H.
What are the key properties of 4-chlorophenol;3,5-dibromophenol?
4-chlorophenol;3,5-dibromophenol has a molecular weight of 380.46 g/mol, XLogP of 4.96, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorophenol;3,5-dibromophenol is sourced from PubChem (CID 20553878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).