2-[(4-bromophenyl)iminomethyl]-4-chlorophenol

C13H9BrClNO — CID 690138

IUPAC2-[(4-bromophenyl)iminomethyl]-4-chlorophenol
SMILESOc1ccc(Cl)cc1/C=N/c1ccc(Br)cc1
InChIInChI=1S/C13H9BrClNO/c14-10-1-4-12(5-2-10)16-8-9-7-11(15)3-6-13(9)17/h1-8,17H/b16-8+
InChIKeyHMKMXBKNSVBKSA-LZYBPNLTSA-N
MW310.58 g/mol
LogP4.56
Rot. Bonds2

About 2-[(4-bromophenyl)iminomethyl]-4-chlorophenol

2-[(4-bromophenyl)iminomethyl]-4-chlorophenol (PubChem CID 690138) has the molecular formula C13H9BrClNO and a molecular weight of 310.58 g/mol. Its IUPAC name is 2-[(4-bromophenyl)iminomethyl]-4-chlorophenol.

Molecular Properties

Compound Name2-[(4-bromophenyl)iminomethyl]-4-chlorophenol
PubChem CID690138
Molecular FormulaC13H9BrClNO
Molecular Weight310.58 g/mol
Exact Mass308.96
IUPAC Name2-[(4-bromophenyl)iminomethyl]-4-chlorophenol
SMILESOc1ccc(Cl)cc1/C=N/c1ccc(Br)cc1
InChIInChI=1S/C13H9BrClNO/c14-10-1-4-12(5-2-10)16-8-9-7-11(15)3-6-13(9)17/h1-8,17H/b16-8+
InChIKeyHMKMXBKNSVBKSA-LZYBPNLTSA-N
XLogP4.56
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.58
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)iminomethyl]-4-chlorophenol?
The IUPAC name of 2-[(4-bromophenyl)iminomethyl]-4-chlorophenol (CID 690138) is 2-[(4-bromophenyl)iminomethyl]-4-chlorophenol.
What is the SMILES notation for 2-[(4-bromophenyl)iminomethyl]-4-chlorophenol?
The canonical SMILES for 2-[(4-bromophenyl)iminomethyl]-4-chlorophenol is Oc1ccc(Cl)cc1/C=N/c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)iminomethyl]-4-chlorophenol?
The InChIKey is HMKMXBKNSVBKSA-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H9BrClNO/c14-10-1-4-12(5-2-10)16-8-9-7-11(15)3-6-13(9)17/h1-8,17H/b16-8+.
What are the key properties of 2-[(4-bromophenyl)iminomethyl]-4-chlorophenol?
2-[(4-bromophenyl)iminomethyl]-4-chlorophenol has a molecular weight of 310.58 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)iminomethyl]-4-chlorophenol is sourced from PubChem (CID 690138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).