2-bromo-4-[(4-ethylphenyl)iminomethyl]-6-methoxyphenol

C16H16BrNO2 — CID 137021949

IUPAC2-bromo-4-[(4-ethylphenyl)iminomethyl]-6-methoxyphenol
SMILESCCc1ccc(/N=C/c2cc(Br)c(O)c(OC)c2)cc1
InChIInChI=1S/C16H16BrNO2/c1-3-11-4-6-13(7-5-11)18-10-12-8-14(17)16(19)15(9-12)20-2/h4-10,19H,3H2,1-2H3/b18-10+
InChIKeyFGDHXUYTQMFZIR-VCHYOVAHSA-N
MW334.21 g/mol
LogP4.48
Rot. Bonds4

About 2-bromo-4-[(4-ethylphenyl)iminomethyl]-6-methoxyphenol

2-bromo-4-[(4-ethylphenyl)iminomethyl]-6-methoxyphenol (PubChem CID 137021949) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 2-bromo-4-[(4-ethylphenyl)iminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-bromo-4-[(4-ethylphenyl)iminomethyl]-6-methoxyphenol
PubChem CID137021949
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name2-bromo-4-[(4-ethylphenyl)iminomethyl]-6-methoxyphenol
SMILESCCc1ccc(/N=C/c2cc(Br)c(O)c(OC)c2)cc1
InChIInChI=1S/C16H16BrNO2/c1-3-11-4-6-13(7-5-11)18-10-12-8-14(17)16(19)15(9-12)20-2/h4-10,19H,3H2,1-2H3/b18-10+
InChIKeyFGDHXUYTQMFZIR-VCHYOVAHSA-N
XLogP4.48
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-N-(4-ethylphenyl)methanimine
CID 50887206
1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126215718
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethylphenyl)methanimine
CID 126222908
1-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine
CID 126207553
1-(3,5-dibromo-4-propoxyphenyl)-N-(4-ethylphenyl)methanimine
CID 126217272
2-bromo-4-[(3,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 137059390
[2-bromo-4-[(4-ethylphenyl)iminomethyl]-6-methoxyphenyl] 4-chlorobenzenesulfonate
CID 126221604
1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine
CID 126219299
1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine
CID 126223204
N-(4-ethylphenyl)-1-(3-methoxyphenyl)methanimine
CID 126208711
2-ethoxy-4-[(4-ethylphenyl)iminomethyl]phenol
CID 135745745
1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine
CID 50885371

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(4-ethylphenyl)iminomethyl]-6-methoxyphenol?
The IUPAC name of 2-bromo-4-[(4-ethylphenyl)iminomethyl]-6-methoxyphenol (CID 137021949) is 2-bromo-4-[(4-ethylphenyl)iminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-bromo-4-[(4-ethylphenyl)iminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-bromo-4-[(4-ethylphenyl)iminomethyl]-6-methoxyphenol is CCc1ccc(/N=C/c2cc(Br)c(O)c(OC)c2)cc1.
What is the InChIKey of 2-bromo-4-[(4-ethylphenyl)iminomethyl]-6-methoxyphenol?
The InChIKey is FGDHXUYTQMFZIR-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-3-11-4-6-13(7-5-11)18-10-12-8-14(17)16(19)15(9-12)20-2/h4-10,19H,3H2,1-2H3/b18-10+.
What are the key properties of 2-bromo-4-[(4-ethylphenyl)iminomethyl]-6-methoxyphenol?
2-bromo-4-[(4-ethylphenyl)iminomethyl]-6-methoxyphenol has a molecular weight of 334.21 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(4-ethylphenyl)iminomethyl]-6-methoxyphenol is sourced from PubChem (CID 137021949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).