4-bromo-2-[[(1R)-1-phenylethyl]iminomethyl]phenol

C15H14BrNO — CID 727422

IUPAC4-bromo-2-[[(1R)-1-phenylethyl]iminomethyl]phenol
SMILESC[C@@H](/N=C/c1cc(Br)ccc1O)c1ccccc1
InChIInChI=1S/C15H14BrNO/c1-11(12-5-3-2-4-6-12)17-10-13-9-14(16)7-8-15(13)18/h2-11,18H,1H3/b17-10+/t11-/m1/s1
InChIKeyOISFOSGBMZIRQI-JDAJCMJVSA-N
MW304.19 g/mol
LogP4.33
Rot. Bonds3

About 4-bromo-2-[[(1R)-1-phenylethyl]iminomethyl]phenol

4-bromo-2-[[(1R)-1-phenylethyl]iminomethyl]phenol (PubChem CID 727422) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 4-bromo-2-[[(1R)-1-phenylethyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[[(1R)-1-phenylethyl]iminomethyl]phenol
PubChem CID727422
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name4-bromo-2-[[(1R)-1-phenylethyl]iminomethyl]phenol
SMILESC[C@@H](/N=C/c1cc(Br)ccc1O)c1ccccc1
InChIInChI=1S/C15H14BrNO/c1-11(12-5-3-2-4-6-12)17-10-13-9-14(16)7-8-15(13)18/h2-11,18H,1H3/b17-10+/t11-/m1/s1
InChIKeyOISFOSGBMZIRQI-JDAJCMJVSA-N
XLogP4.33
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-2-[[(1R)-1-phenylethyl]iminomethyl]phenol 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-bromo-2-[[(1R)-1-phenylethyl]iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[[(1R)-1-phenylethyl]iminomethyl]phenol (CID 727422) is 4-bromo-2-[[(1R)-1-phenylethyl]iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[[(1R)-1-phenylethyl]iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[[(1R)-1-phenylethyl]iminomethyl]phenol is C[C@@H](/N=C/c1cc(Br)ccc1O)c1ccccc1.
What is the InChIKey of 4-bromo-2-[[(1R)-1-phenylethyl]iminomethyl]phenol?
The InChIKey is OISFOSGBMZIRQI-JDAJCMJVSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-11(12-5-3-2-4-6-12)17-10-13-9-14(16)7-8-15(13)18/h2-11,18H,1H3/b17-10+/t11-/m1/s1.
What are the key properties of 4-bromo-2-[[(1R)-1-phenylethyl]iminomethyl]phenol?
4-bromo-2-[[(1R)-1-phenylethyl]iminomethyl]phenol has a molecular weight of 304.19 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[(1R)-1-phenylethyl]iminomethyl]phenol is sourced from PubChem (CID 727422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).