2-[(E)-3-(4-bromophenyl)iminoprop-1-enyl]phenol

C15H12BrNO — CID 135770173

IUPAC2-[(E)-3-(4-bromophenyl)iminoprop-1-enyl]phenol
SMILESOc1ccccc1/C=C/C=N/c1ccc(Br)cc1
InChIInChI=1S/C15H12BrNO/c16-13-7-9-14(10-8-13)17-11-3-5-12-4-1-2-6-15(12)18/h1-11,18H/b5-3+,17-11+
InChIKeyGSVMOAPTOCYNOY-PCKQUGLBSA-N
MW302.17 g/mol
LogP4.57
Rot. Bonds3

About 2-[(E)-3-(4-bromophenyl)iminoprop-1-enyl]phenol

2-[(E)-3-(4-bromophenyl)iminoprop-1-enyl]phenol (PubChem CID 135770173) has the molecular formula C15H12BrNO and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-[(E)-3-(4-bromophenyl)iminoprop-1-enyl]phenol.

Molecular Properties

Compound Name2-[(E)-3-(4-bromophenyl)iminoprop-1-enyl]phenol
PubChem CID135770173
Molecular FormulaC15H12BrNO
Molecular Weight302.17 g/mol
Exact Mass301.01
IUPAC Name2-[(E)-3-(4-bromophenyl)iminoprop-1-enyl]phenol
SMILESOc1ccccc1/C=C/C=N/c1ccc(Br)cc1
InChIInChI=1S/C15H12BrNO/c16-13-7-9-14(10-8-13)17-11-3-5-12-4-1-2-6-15(12)18/h1-11,18H/b5-3+,17-11+
InChIKeyGSVMOAPTOCYNOY-PCKQUGLBSA-N
XLogP4.57
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 54.57
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-[(E)-3-(4-bromophenyl)iminoprop-1-enyl]phenol?
The IUPAC name of 2-[(E)-3-(4-bromophenyl)iminoprop-1-enyl]phenol (CID 135770173) is 2-[(E)-3-(4-bromophenyl)iminoprop-1-enyl]phenol.
What is the SMILES notation for 2-[(E)-3-(4-bromophenyl)iminoprop-1-enyl]phenol?
The canonical SMILES for 2-[(E)-3-(4-bromophenyl)iminoprop-1-enyl]phenol is Oc1ccccc1/C=C/C=N/c1ccc(Br)cc1.
What is the InChIKey of 2-[(E)-3-(4-bromophenyl)iminoprop-1-enyl]phenol?
The InChIKey is GSVMOAPTOCYNOY-PCKQUGLBSA-N. The full InChI is InChI=1S/C15H12BrNO/c16-13-7-9-14(10-8-13)17-11-3-5-12-4-1-2-6-15(12)18/h1-11,18H/b5-3+,17-11+.
What are the key properties of 2-[(E)-3-(4-bromophenyl)iminoprop-1-enyl]phenol?
2-[(E)-3-(4-bromophenyl)iminoprop-1-enyl]phenol has a molecular weight of 302.17 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-(4-bromophenyl)iminoprop-1-enyl]phenol is sourced from PubChem (CID 135770173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).