4-bromo-2-methoxy-6-(phenyliminomethyl)phenol

C14H12BrNO2 — CID 1478232

IUPAC4-bromo-2-methoxy-6-(phenyliminomethyl)phenol
SMILESCOc1cc(Br)cc(/C=N/c2ccccc2)c1O
InChIInChI=1S/C14H12BrNO2/c1-18-13-8-11(15)7-10(14(13)17)9-16-12-5-3-2-4-6-12/h2-9,17H,1H3/b16-9+
InChIKeyATCUYZPXIHPUEG-CXUHLZMHSA-N
MW306.16 g/mol
LogP3.91
Rot. Bonds3

About 4-bromo-2-methoxy-6-(phenyliminomethyl)phenol

4-bromo-2-methoxy-6-(phenyliminomethyl)phenol (PubChem CID 1478232) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 4-bromo-2-methoxy-6-(phenyliminomethyl)phenol.

Molecular Properties

Compound Name4-bromo-2-methoxy-6-(phenyliminomethyl)phenol
PubChem CID1478232
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name4-bromo-2-methoxy-6-(phenyliminomethyl)phenol
SMILESCOc1cc(Br)cc(/C=N/c2ccccc2)c1O
InChIInChI=1S/C14H12BrNO2/c1-18-13-8-11(15)7-10(14(13)17)9-16-12-5-3-2-4-6-12/h2-9,17H,1H3/b16-9+
InChIKeyATCUYZPXIHPUEG-CXUHLZMHSA-N
XLogP3.91
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-bromo-2-methoxy-6-(phenyliminomethyl)phenol?
The IUPAC name of 4-bromo-2-methoxy-6-(phenyliminomethyl)phenol (CID 1478232) is 4-bromo-2-methoxy-6-(phenyliminomethyl)phenol.
What is the SMILES notation for 4-bromo-2-methoxy-6-(phenyliminomethyl)phenol?
The canonical SMILES for 4-bromo-2-methoxy-6-(phenyliminomethyl)phenol is COc1cc(Br)cc(/C=N/c2ccccc2)c1O.
What is the InChIKey of 4-bromo-2-methoxy-6-(phenyliminomethyl)phenol?
The InChIKey is ATCUYZPXIHPUEG-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-18-13-8-11(15)7-10(14(13)17)9-16-12-5-3-2-4-6-12/h2-9,17H,1H3/b16-9+.
What are the key properties of 4-bromo-2-methoxy-6-(phenyliminomethyl)phenol?
4-bromo-2-methoxy-6-(phenyliminomethyl)phenol has a molecular weight of 306.16 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-6-(phenyliminomethyl)phenol is sourced from PubChem (CID 1478232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).