4-bromo-2-[(2-hydroxy-5-propylphenyl)iminomethyl]-6-methoxyphenol

C17H18BrNO3 — CID 3535879

IUPAC4-bromo-2-[(2-hydroxy-5-propylphenyl)iminomethyl]-6-methoxyphenol
SMILESCCCc1ccc(O)c(/N=C/c2cc(Br)cc(OC)c2O)c1
InChIInChI=1S/C17H18BrNO3/c1-3-4-11-5-6-15(20)14(7-11)19-10-12-8-13(18)9-16(22-2)17(12)21/h5-10,20-21H,3-4H2,1-2H3/b19-10+
InChIKeyQXAKRPZMTLKICW-VXLYETTFSA-N
MW364.24 g/mol
LogP4.57
Rot. Bonds5

About 4-bromo-2-[(2-hydroxy-5-propylphenyl)iminomethyl]-6-methoxyphenol

4-bromo-2-[(2-hydroxy-5-propylphenyl)iminomethyl]-6-methoxyphenol (PubChem CID 3535879) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is 4-bromo-2-[(2-hydroxy-5-propylphenyl)iminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name4-bromo-2-[(2-hydroxy-5-propylphenyl)iminomethyl]-6-methoxyphenol
PubChem CID3535879
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC Name4-bromo-2-[(2-hydroxy-5-propylphenyl)iminomethyl]-6-methoxyphenol
SMILESCCCc1ccc(O)c(/N=C/c2cc(Br)cc(OC)c2O)c1
InChIInChI=1S/C17H18BrNO3/c1-3-4-11-5-6-15(20)14(7-11)19-10-12-8-13(18)9-16(22-2)17(12)21/h5-10,20-21H,3-4H2,1-2H3/b19-10+
InChIKeyQXAKRPZMTLKICW-VXLYETTFSA-N
XLogP4.57
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-bromo-2-[(2-hydroxy-5-propylphenyl)iminomethyl]-6-methoxyphenol?
The IUPAC name of 4-bromo-2-[(2-hydroxy-5-propylphenyl)iminomethyl]-6-methoxyphenol (CID 3535879) is 4-bromo-2-[(2-hydroxy-5-propylphenyl)iminomethyl]-6-methoxyphenol.
What is the SMILES notation for 4-bromo-2-[(2-hydroxy-5-propylphenyl)iminomethyl]-6-methoxyphenol?
The canonical SMILES for 4-bromo-2-[(2-hydroxy-5-propylphenyl)iminomethyl]-6-methoxyphenol is CCCc1ccc(O)c(/N=C/c2cc(Br)cc(OC)c2O)c1.
What is the InChIKey of 4-bromo-2-[(2-hydroxy-5-propylphenyl)iminomethyl]-6-methoxyphenol?
The InChIKey is QXAKRPZMTLKICW-VXLYETTFSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-3-4-11-5-6-15(20)14(7-11)19-10-12-8-13(18)9-16(22-2)17(12)21/h5-10,20-21H,3-4H2,1-2H3/b19-10+.
What are the key properties of 4-bromo-2-[(2-hydroxy-5-propylphenyl)iminomethyl]-6-methoxyphenol?
4-bromo-2-[(2-hydroxy-5-propylphenyl)iminomethyl]-6-methoxyphenol has a molecular weight of 364.24 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2-hydroxy-5-propylphenyl)iminomethyl]-6-methoxyphenol is sourced from PubChem (CID 3535879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).