2-bromophenol;4-chlorophenol

C12H10BrClO2 — CID 70539432

IUPAC2-bromophenol;4-chlorophenol
SMILESOc1ccc(Cl)cc1.Oc1ccccc1Br
InChIInChI=1S/C6H5BrO.C6H5ClO/c7-5-3-1-2-4-6(5)8;7-5-1-3-6(8)4-2-5/h2*1-4,8H
InChIKeyCZUTYSCYTPDILD-UHFFFAOYSA-N
MW301.57 g/mol
LogP4.20
Rot. Bonds

About 2-bromophenol;4-chlorophenol

2-bromophenol;4-chlorophenol (PubChem CID 70539432) has the molecular formula C12H10BrClO2 and a molecular weight of 301.57 g/mol. Its IUPAC name is 2-bromophenol;4-chlorophenol.

Molecular Properties

Compound Name2-bromophenol;4-chlorophenol
PubChem CID70539432
Molecular FormulaC12H10BrClO2
Molecular Weight301.57 g/mol
Exact Mass299.96
IUPAC Name2-bromophenol;4-chlorophenol
SMILESOc1ccc(Cl)cc1.Oc1ccccc1Br
InChIInChI=1S/C6H5BrO.C6H5ClO/c7-5-3-1-2-4-6(5)8;7-5-1-3-6(8)4-2-5/h2*1-4,8H
InChIKeyCZUTYSCYTPDILD-UHFFFAOYSA-N
XLogP4.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.57
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromophenol;4-chlorophenol?
The IUPAC name of 2-bromophenol;4-chlorophenol (CID 70539432) is 2-bromophenol;4-chlorophenol.
What is the SMILES notation for 2-bromophenol;4-chlorophenol?
The canonical SMILES for 2-bromophenol;4-chlorophenol is Oc1ccc(Cl)cc1.Oc1ccccc1Br.
What is the InChIKey of 2-bromophenol;4-chlorophenol?
The InChIKey is CZUTYSCYTPDILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrO.C6H5ClO/c7-5-3-1-2-4-6(5)8;7-5-1-3-6(8)4-2-5/h2*1-4,8H.
What are the key properties of 2-bromophenol;4-chlorophenol?
2-bromophenol;4-chlorophenol has a molecular weight of 301.57 g/mol, XLogP of 4.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromophenol;4-chlorophenol is sourced from PubChem (CID 70539432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).