4-[(4-bromo-3-chlorophenyl)iminomethyl]-2-methoxyphenol

C14H11BrClNO2 — CID 681301

IUPAC4-[(4-bromo-3-chlorophenyl)iminomethyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/c2ccc(Br)c(Cl)c2)ccc1O
InChIInChI=1S/C14H11BrClNO2/c1-19-14-6-9(2-5-13(14)18)8-17-10-3-4-11(15)12(16)7-10/h2-8,18H,1H3/b17-8+
InChIKeyLUGORMZAKGFOQQ-CAOOACKPSA-N
MW340.60 g/mol
LogP4.57
Rot. Bonds3

About 4-[(4-bromo-3-chlorophenyl)iminomethyl]-2-methoxyphenol

4-[(4-bromo-3-chlorophenyl)iminomethyl]-2-methoxyphenol (PubChem CID 681301) has the molecular formula C14H11BrClNO2 and a molecular weight of 340.60 g/mol. Its IUPAC name is 4-[(4-bromo-3-chlorophenyl)iminomethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(4-bromo-3-chlorophenyl)iminomethyl]-2-methoxyphenol
PubChem CID681301
Molecular FormulaC14H11BrClNO2
Molecular Weight340.60 g/mol
Exact Mass338.97
IUPAC Name4-[(4-bromo-3-chlorophenyl)iminomethyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/c2ccc(Br)c(Cl)c2)ccc1O
InChIInChI=1S/C14H11BrClNO2/c1-19-14-6-9(2-5-13(14)18)8-17-10-3-4-11(15)12(16)7-10/h2-8,18H,1H3/b17-8+
InChIKeyLUGORMZAKGFOQQ-CAOOACKPSA-N
XLogP4.57
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 54.57
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

N-(4-bromo-3-chlorophenyl)-1-[4-[(4-bromo-3-chlorophenyl)iminomethyl]phenyl]methanimine
CID 21239979
2-[(4-bromo-3-chlorophenyl)iminomethyl]-6-methoxyphenol
CID 681274
4-[(4-fluorophenyl)iminomethyl]-2-methoxyphenol
CID 693204
3-[(4-bromo-3-chlorophenyl)iminomethyl]phenol
CID 628372
4-[[4-[(4-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-2-methoxyphenol;4-pyridin-4-ylpyridine
CID 139088925
2-methoxy-4-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 769823
2-methoxy-4-[[4-methyl-3-[(4-methylphenyl)diazenyl]phenyl]iminomethyl]phenol
CID 3284679
1-(3-bromophenyl)-N-(3-chloro-4-methoxyphenyl)methanimine
CID 21211700
4-[(3,4-dichlorophenyl)iminomethyl]benzene-1,2-diol
CID 681130
5-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid
CID 50885112
4-[(2,5-dimethylphenyl)iminomethyl]-2-methoxyphenol
CID 620472
4-[(3-chloro-4-methylphenyl)iminomethyl]-2-iodo-6-methoxyphenol
CID 137149832

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3-chlorophenyl)iminomethyl]-2-methoxyphenol?
The IUPAC name of 4-[(4-bromo-3-chlorophenyl)iminomethyl]-2-methoxyphenol (CID 681301) is 4-[(4-bromo-3-chlorophenyl)iminomethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(4-bromo-3-chlorophenyl)iminomethyl]-2-methoxyphenol?
The canonical SMILES for 4-[(4-bromo-3-chlorophenyl)iminomethyl]-2-methoxyphenol is COc1cc(/C=N/c2ccc(Br)c(Cl)c2)ccc1O.
What is the InChIKey of 4-[(4-bromo-3-chlorophenyl)iminomethyl]-2-methoxyphenol?
The InChIKey is LUGORMZAKGFOQQ-CAOOACKPSA-N. The full InChI is InChI=1S/C14H11BrClNO2/c1-19-14-6-9(2-5-13(14)18)8-17-10-3-4-11(15)12(16)7-10/h2-8,18H,1H3/b17-8+.
What are the key properties of 4-[(4-bromo-3-chlorophenyl)iminomethyl]-2-methoxyphenol?
4-[(4-bromo-3-chlorophenyl)iminomethyl]-2-methoxyphenol has a molecular weight of 340.60 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3-chlorophenyl)iminomethyl]-2-methoxyphenol is sourced from PubChem (CID 681301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).