2-[(4-bromo-3-chlorophenyl)iminomethyl]-6-methoxyphenol

C14H11BrClNO2 — CID 681274

IUPAC2-[(4-bromo-3-chlorophenyl)iminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/c2ccc(Br)c(Cl)c2)c1O
InChIInChI=1S/C14H11BrClNO2/c1-19-13-4-2-3-9(14(13)18)8-17-10-5-6-11(15)12(16)7-10/h2-8,18H,1H3/b17-8+
InChIKeyQWOKEBWUPJWONP-CAOOACKPSA-N
MW340.60 g/mol
LogP4.57
Rot. Bonds3

About 2-[(4-bromo-3-chlorophenyl)iminomethyl]-6-methoxyphenol

2-[(4-bromo-3-chlorophenyl)iminomethyl]-6-methoxyphenol (PubChem CID 681274) has the molecular formula C14H11BrClNO2 and a molecular weight of 340.60 g/mol. Its IUPAC name is 2-[(4-bromo-3-chlorophenyl)iminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(4-bromo-3-chlorophenyl)iminomethyl]-6-methoxyphenol
PubChem CID681274
Molecular FormulaC14H11BrClNO2
Molecular Weight340.60 g/mol
Exact Mass338.97
IUPAC Name2-[(4-bromo-3-chlorophenyl)iminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/c2ccc(Br)c(Cl)c2)c1O
InChIInChI=1S/C14H11BrClNO2/c1-19-13-4-2-3-9(14(13)18)8-17-10-5-6-11(15)12(16)7-10/h2-8,18H,1H3/b17-8+
InChIKeyQWOKEBWUPJWONP-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

3,5-dibromo-4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenol
CID 3465269
4-[(4-bromo-3-chlorophenyl)iminomethyl]-2-methoxyphenol
CID 681301
2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol
CID 964874
2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol
CID 135657433
2-[[3-[3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-6-methoxyphenol
CID 135424005
3-[(4-bromo-3-chlorophenyl)iminomethyl]phenol
CID 628372
2-[(4-bromo-3-chlorophenyl)iminomethyl]naphthalen-1-ol
CID 135953557
2-methoxy-6-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 135657437
4-bromo-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135592590
N-(4-bromo-3-chlorophenyl)-1-naphthalen-1-ylmethanimine
CID 4580179
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 3272383
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,6-diphenylphenol
CID 136702059

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3-chlorophenyl)iminomethyl]-6-methoxyphenol?
The IUPAC name of 2-[(4-bromo-3-chlorophenyl)iminomethyl]-6-methoxyphenol (CID 681274) is 2-[(4-bromo-3-chlorophenyl)iminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(4-bromo-3-chlorophenyl)iminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-[(4-bromo-3-chlorophenyl)iminomethyl]-6-methoxyphenol is COc1cccc(/C=N/c2ccc(Br)c(Cl)c2)c1O.
What is the InChIKey of 2-[(4-bromo-3-chlorophenyl)iminomethyl]-6-methoxyphenol?
The InChIKey is QWOKEBWUPJWONP-CAOOACKPSA-N. The full InChI is InChI=1S/C14H11BrClNO2/c1-19-13-4-2-3-9(14(13)18)8-17-10-5-6-11(15)12(16)7-10/h2-8,18H,1H3/b17-8+.
What are the key properties of 2-[(4-bromo-3-chlorophenyl)iminomethyl]-6-methoxyphenol?
2-[(4-bromo-3-chlorophenyl)iminomethyl]-6-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 2-[(4-bromo-3-chlorophenyl)iminomethyl]-6-methoxyphenol is sourced from PubChem (CID 681274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).