4-bromo-2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol

C16H16BrNO4 — CID 135592582

IUPAC4-bromo-2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
SMILESCOc1ccc(OC)c(/N=C/c2cc(Br)cc(OC)c2O)c1
InChIInChI=1S/C16H16BrNO4/c1-20-12-4-5-14(21-2)13(8-12)18-9-10-6-11(17)7-15(22-3)16(10)19/h4-9,19H,1-3H3/b18-9+
InChIKeyMKSUVPLNLPNPGF-GIJQJNRQSA-N
MW366.21 g/mol
LogP3.93
Rot. Bonds5

About 4-bromo-2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol

4-bromo-2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol (PubChem CID 135592582) has the molecular formula C16H16BrNO4 and a molecular weight of 366.21 g/mol. Its IUPAC name is 4-bromo-2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name4-bromo-2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
PubChem CID135592582
Molecular FormulaC16H16BrNO4
Molecular Weight366.21 g/mol
Exact Mass365.03
IUPAC Name4-bromo-2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
SMILESCOc1ccc(OC)c(/N=C/c2cc(Br)cc(OC)c2O)c1
InChIInChI=1S/C16H16BrNO4/c1-20-12-4-5-14(21-2)13(8-12)18-9-10-6-11(17)7-15(22-3)16(10)19/h4-9,19H,1-3H3/b18-9+
InChIKeyMKSUVPLNLPNPGF-GIJQJNRQSA-N
XLogP3.93
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methoxyphenol
CID 135619911
2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
CID 135595493
2,4-dichloro-6-[(2,5-dimethoxyphenyl)iminomethyl]phenol
CID 710294
4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-methoxyphenol
CID 135619923
4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol
CID 1478235
4-bromo-2-[(5-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 1378103
4-bromo-2-[(4-iodophenyl)iminomethyl]-6-methoxyphenol
CID 3414958
4-bromo-2-[(4-bromo-2,6-dimethylphenyl)iminomethyl]-6-methoxyphenol
CID 3446470
4-bromo-2-[(3-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135592586
2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzoic acid
CID 871301
4-bromo-2-methoxy-6-(quinolin-5-yliminomethyl)phenol
CID 171981027
4-bromo-2-iodo-6-[(2-methoxyphenyl)iminomethyl]phenol
CID 137043389

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol?
The IUPAC name of 4-bromo-2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol (CID 135592582) is 4-bromo-2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol.
What is the SMILES notation for 4-bromo-2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol?
The canonical SMILES for 4-bromo-2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol is COc1ccc(OC)c(/N=C/c2cc(Br)cc(OC)c2O)c1.
What is the InChIKey of 4-bromo-2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol?
The InChIKey is MKSUVPLNLPNPGF-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H16BrNO4/c1-20-12-4-5-14(21-2)13(8-12)18-9-10-6-11(17)7-15(22-3)16(10)19/h4-9,19H,1-3H3/b18-9+.
What are the key properties of 4-bromo-2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol?
4-bromo-2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol has a molecular weight of 366.21 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol is sourced from PubChem (CID 135592582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).