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

C18H20BrNO3 — CID 3894923

IUPAC4-bromo-2-ethoxy-6-[(2-hydroxy-5-propylphenyl)iminomethyl]phenol
SMILESCCCc1ccc(O)c(/N=C/c2cc(Br)cc(OCC)c2O)c1
InChIInChI=1S/C18H20BrNO3/c1-3-5-12-6-7-16(21)15(8-12)20-11-13-9-14(19)10-17(18(13)22)23-4-2/h6-11,21-22H,3-5H2,1-2H3/b20-11+
InChIKeyHWLFDDRFXCAIFS-RGVLZGJSSA-N
MW378.27 g/mol
LogP4.96
Rot. Bonds6

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

4-bromo-2-ethoxy-6-[(2-hydroxy-5-propylphenyl)iminomethyl]phenol (PubChem CID 3894923) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 4-bromo-2-ethoxy-6-[(2-hydroxy-5-propylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-ethoxy-6-[(2-hydroxy-5-propylphenyl)iminomethyl]phenol
PubChem CID3894923
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name4-bromo-2-ethoxy-6-[(2-hydroxy-5-propylphenyl)iminomethyl]phenol
SMILESCCCc1ccc(O)c(/N=C/c2cc(Br)cc(OCC)c2O)c1
InChIInChI=1S/C18H20BrNO3/c1-3-5-12-6-7-16(21)15(8-12)20-11-13-9-14(19)10-17(18(13)22)23-4-2/h6-11,21-22H,3-5H2,1-2H3/b20-11+
InChIKeyHWLFDDRFXCAIFS-RGVLZGJSSA-N
XLogP4.96
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.96
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-ethoxy-6-[(2-hydroxy-5-propylphenyl)iminomethyl]phenol?
The IUPAC name of 4-bromo-2-ethoxy-6-[(2-hydroxy-5-propylphenyl)iminomethyl]phenol (CID 3894923) is 4-bromo-2-ethoxy-6-[(2-hydroxy-5-propylphenyl)iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-ethoxy-6-[(2-hydroxy-5-propylphenyl)iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-ethoxy-6-[(2-hydroxy-5-propylphenyl)iminomethyl]phenol is CCCc1ccc(O)c(/N=C/c2cc(Br)cc(OCC)c2O)c1.
What is the InChIKey of 4-bromo-2-ethoxy-6-[(2-hydroxy-5-propylphenyl)iminomethyl]phenol?
The InChIKey is HWLFDDRFXCAIFS-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-3-5-12-6-7-16(21)15(8-12)20-11-13-9-14(19)10-17(18(13)22)23-4-2/h6-11,21-22H,3-5H2,1-2H3/b20-11+.
What are the key properties of 4-bromo-2-ethoxy-6-[(2-hydroxy-5-propylphenyl)iminomethyl]phenol?
4-bromo-2-ethoxy-6-[(2-hydroxy-5-propylphenyl)iminomethyl]phenol has a molecular weight of 378.27 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethoxy-6-[(2-hydroxy-5-propylphenyl)iminomethyl]phenol is sourced from PubChem (CID 3894923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).