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

C18H20BrNO4 — CID 135855450

IUPAC2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyliminomethyl]-6-methoxyphenol
SMILESCOc1cc(Br)c(CC/N=C/c2cccc(OC)c2O)cc1OC
InChIInChI=1S/C18H20BrNO4/c1-22-15-6-4-5-13(18(15)21)11-20-8-7-12-9-16(23-2)17(24-3)10-14(12)19/h4-6,9-11,21H,7-8H2,1-3H3/b20-11+
InChIKeyYYPSWXFSTQKWHB-RGVLZGJSSA-N
MW394.27 g/mol
LogP3.84
Rot. Bonds7

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

2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyliminomethyl]-6-methoxyphenol (PubChem CID 135855450) has the molecular formula C18H20BrNO4 and a molecular weight of 394.27 g/mol. Its IUPAC name is 2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyliminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyliminomethyl]-6-methoxyphenol
PubChem CID135855450
Molecular FormulaC18H20BrNO4
Molecular Weight394.27 g/mol
Exact Mass393.06
IUPAC Name2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyliminomethyl]-6-methoxyphenol
SMILESCOc1cc(Br)c(CC/N=C/c2cccc(OC)c2O)cc1OC
InChIInChI=1S/C18H20BrNO4/c1-22-15-6-4-5-13(18(15)21)11-20-8-7-12-9-16(23-2)17(24-3)10-14(12)19/h4-6,9-11,21H,7-8H2,1-3H3/b20-11+
InChIKeyYYPSWXFSTQKWHB-RGVLZGJSSA-N
XLogP3.84
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 53.84
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

2-methoxy-6-[2-(2-methoxy-5-methylphenyl)ethyliminomethyl]phenol
CID 135829051
2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol
CID 135757817
2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
CID 136851289
2-(2-aminoethyliminomethyl)-6-methoxyphenol
CID 136729153
2-(3-hydroxypropyliminomethyl)-6-methoxyphenol
CID 136727735
2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol
CID 135509884
2-[2-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol
CID 136908274
2-[(3,4-dimethoxyphenyl)methyliminomethyl]-6-methoxyphenol
CID 135595556
2-[2-[4-(difluoromethoxy)phenyl]ethyliminomethyl]-6-methoxyphenol
CID 135818049
1-(1,3-benzodioxol-5-yl)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]methanimine
CID 14565945
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyliminomethyl]-6-methoxyphenol?
The IUPAC name of 2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyliminomethyl]-6-methoxyphenol (CID 135855450) is 2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyliminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyliminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyliminomethyl]-6-methoxyphenol is COc1cc(Br)c(CC/N=C/c2cccc(OC)c2O)cc1OC.
What is the InChIKey of 2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyliminomethyl]-6-methoxyphenol?
The InChIKey is YYPSWXFSTQKWHB-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H20BrNO4/c1-22-15-6-4-5-13(18(15)21)11-20-8-7-12-9-16(23-2)17(24-3)10-14(12)19/h4-6,9-11,21H,7-8H2,1-3H3/b20-11+.
What are the key properties of 2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyliminomethyl]-6-methoxyphenol?
2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyliminomethyl]-6-methoxyphenol has a molecular weight of 394.27 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyliminomethyl]-6-methoxyphenol is sourced from PubChem (CID 135855450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).