2,5-dibromo-4-(2,5-dichlorophenyl)phenol

C12H6Br2Cl2O — CID 12748815

IUPAC2,5-dibromo-4-(2,5-dichlorophenyl)phenol
SMILESOc1cc(Br)c(-c2cc(Cl)ccc2Cl)cc1Br
InChIInChI=1S/C12H6Br2Cl2O/c13-9-5-12(17)10(14)4-7(9)8-3-6(15)1-2-11(8)16/h1-5,17H
InChIKeyJLHZCVUEMVPXNV-UHFFFAOYSA-N
MW396.89 g/mol
LogP5.89
Rot. Bonds1

About 2,5-dibromo-4-(2,5-dichlorophenyl)phenol

2,5-dibromo-4-(2,5-dichlorophenyl)phenol (PubChem CID 12748815) has the molecular formula C12H6Br2Cl2O and a molecular weight of 396.89 g/mol. Its IUPAC name is 2,5-dibromo-4-(2,5-dichlorophenyl)phenol.

Molecular Properties

Compound Name2,5-dibromo-4-(2,5-dichlorophenyl)phenol
PubChem CID12748815
Molecular FormulaC12H6Br2Cl2O
Molecular Weight396.89 g/mol
Exact Mass393.82
IUPAC Name2,5-dibromo-4-(2,5-dichlorophenyl)phenol
SMILESOc1cc(Br)c(-c2cc(Cl)ccc2Cl)cc1Br
InChIInChI=1S/C12H6Br2Cl2O/c13-9-5-12(17)10(14)4-7(9)8-3-6(15)1-2-11(8)16/h1-5,17H
InChIKeyJLHZCVUEMVPXNV-UHFFFAOYSA-N
XLogP5.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.89
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

lithium;2-bromo-4-chlorophenol;hydride
CID 175213259
sodium;2-bromo-4-chlorophenol;hydride
CID 175199466
3-(2,5-dichlorophenyl)-2-fluorophenol
CID 119000242
1-bromo-2-chlorobenzene;2-bromo-4-chlorophenol
CID 175369538
CID 131883434
CID 131883434
2-bromo-4-chloro-5-fluorophenol
CID 18997596
2-(4-bromo-2-chlorophenyl)-4-chlorophenol
CID 142753932
5-chloro-2-(2,5-dichlorophenyl)benzoic acid
CID 39233778
2-bromo-5-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-chlorophenol
CID 22281161
1-(5-bromo-2-fluorophenyl)-2-chloro-4-(2,5-dichlorophenyl)-5-fluorobenzene
CID 123513311
5-chloro-2-(2,4-dichlorophenyl)phenol
CID 174783468
4-chloro-3-(2,5-dichlorophenyl)-N-methylaniline
CID 173098697

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-4-(2,5-dichlorophenyl)phenol?
The IUPAC name of 2,5-dibromo-4-(2,5-dichlorophenyl)phenol (CID 12748815) is 2,5-dibromo-4-(2,5-dichlorophenyl)phenol.
What is the SMILES notation for 2,5-dibromo-4-(2,5-dichlorophenyl)phenol?
The canonical SMILES for 2,5-dibromo-4-(2,5-dichlorophenyl)phenol is Oc1cc(Br)c(-c2cc(Cl)ccc2Cl)cc1Br.
What is the InChIKey of 2,5-dibromo-4-(2,5-dichlorophenyl)phenol?
The InChIKey is JLHZCVUEMVPXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2Cl2O/c13-9-5-12(17)10(14)4-7(9)8-3-6(15)1-2-11(8)16/h1-5,17H.
What are the key properties of 2,5-dibromo-4-(2,5-dichlorophenyl)phenol?
2,5-dibromo-4-(2,5-dichlorophenyl)phenol has a molecular weight of 396.89 g/mol, XLogP of 5.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-4-(2,5-dichlorophenyl)phenol is sourced from PubChem (CID 12748815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).