2-[(3-bromophenyl)iminomethyl]phenol

C13H10BrNO — CID 4277662

IUPAC2-[(3-bromophenyl)iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1cccc(Br)c1
InChIInChI=1S/C13H10BrNO/c14-11-5-3-6-12(8-11)15-9-10-4-1-2-7-13(10)16/h1-9,16H/b15-9+
InChIKeyWZMRGZLLMIKMQL-OQLLNIDSSA-N
MW276.13 g/mol
LogP3.91
Rot. Bonds2

About 2-[(3-bromophenyl)iminomethyl]phenol

2-[(3-bromophenyl)iminomethyl]phenol (PubChem CID 4277662) has the molecular formula C13H10BrNO and a molecular weight of 276.13 g/mol. Its IUPAC name is 2-[(3-bromophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(3-bromophenyl)iminomethyl]phenol
PubChem CID4277662
Molecular FormulaC13H10BrNO
Molecular Weight276.13 g/mol
Exact Mass274.99
IUPAC Name2-[(3-bromophenyl)iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1cccc(Br)c1
InChIInChI=1S/C13H10BrNO/c14-11-5-3-6-12(8-11)15-9-10-4-1-2-7-13(10)16/h1-9,16H/b15-9+
InChIKeyWZMRGZLLMIKMQL-OQLLNIDSSA-N
XLogP3.91
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 53.91
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-[(3-bromophenyl)iminomethyl]phenol?
The IUPAC name of 2-[(3-bromophenyl)iminomethyl]phenol (CID 4277662) is 2-[(3-bromophenyl)iminomethyl]phenol.
What is the SMILES notation for 2-[(3-bromophenyl)iminomethyl]phenol?
The canonical SMILES for 2-[(3-bromophenyl)iminomethyl]phenol is Oc1ccccc1/C=N/c1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)iminomethyl]phenol?
The InChIKey is WZMRGZLLMIKMQL-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H10BrNO/c14-11-5-3-6-12(8-11)15-9-10-4-1-2-7-13(10)16/h1-9,16H/b15-9+.
What are the key properties of 2-[(3-bromophenyl)iminomethyl]phenol?
2-[(3-bromophenyl)iminomethyl]phenol has a molecular weight of 276.13 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)iminomethyl]phenol is sourced from PubChem (CID 4277662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).