1-[4-[(4-bromo-2-hydroxyphenyl)iminomethyl]phenyl]ethanone

C15H12BrNO2 — CID 67406412

IUPAC1-[4-[(4-bromo-2-hydroxyphenyl)iminomethyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/C=N/c2ccc(Br)cc2O)cc1
InChIInChI=1S/C15H12BrNO2/c1-10(18)12-4-2-11(3-5-12)9-17-14-7-6-13(16)8-15(14)19/h2-9,19H,1H3/b17-9+
InChIKeyGQWCZAZPSCJLMX-RQZCQDPDSA-N
MW318.17 g/mol
LogP4.11
Rot. Bonds3

About 1-[4-[(4-bromo-2-hydroxyphenyl)iminomethyl]phenyl]ethanone

1-[4-[(4-bromo-2-hydroxyphenyl)iminomethyl]phenyl]ethanone (PubChem CID 67406412) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is 1-[4-[(4-bromo-2-hydroxyphenyl)iminomethyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-bromo-2-hydroxyphenyl)iminomethyl]phenyl]ethanone
PubChem CID67406412
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name1-[4-[(4-bromo-2-hydroxyphenyl)iminomethyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/C=N/c2ccc(Br)cc2O)cc1
InChIInChI=1S/C15H12BrNO2/c1-10(18)12-4-2-11(3-5-12)9-17-14-7-6-13(16)8-15(14)19/h2-9,19H,1H3/b17-9+
InChIKeyGQWCZAZPSCJLMX-RQZCQDPDSA-N
XLogP4.11
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-bromo-2-hydroxyphenyl)iminomethyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(4-bromo-2-hydroxyphenyl)iminomethyl]phenyl]ethanone (CID 67406412) is 1-[4-[(4-bromo-2-hydroxyphenyl)iminomethyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(4-bromo-2-hydroxyphenyl)iminomethyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(4-bromo-2-hydroxyphenyl)iminomethyl]phenyl]ethanone is CC(=O)c1ccc(/C=N/c2ccc(Br)cc2O)cc1.
What is the InChIKey of 1-[4-[(4-bromo-2-hydroxyphenyl)iminomethyl]phenyl]ethanone?
The InChIKey is GQWCZAZPSCJLMX-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H12BrNO2/c1-10(18)12-4-2-11(3-5-12)9-17-14-7-6-13(16)8-15(14)19/h2-9,19H,1H3/b17-9+.
What are the key properties of 1-[4-[(4-bromo-2-hydroxyphenyl)iminomethyl]phenyl]ethanone?
1-[4-[(4-bromo-2-hydroxyphenyl)iminomethyl]phenyl]ethanone has a molecular weight of 318.17 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-bromo-2-hydroxyphenyl)iminomethyl]phenyl]ethanone is sourced from PubChem (CID 67406412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).