2-bromo-6-[(2-chlorophenyl)iminomethyl]-4-methylphenol

C14H11BrClNO — CID 757958

IUPAC2-bromo-6-[(2-chlorophenyl)iminomethyl]-4-methylphenol
SMILESCc1cc(Br)c(O)c(/C=N/c2ccccc2Cl)c1
InChIInChI=1S/C14H11BrClNO/c1-9-6-10(14(18)11(15)7-9)8-17-13-5-3-2-4-12(13)16/h2-8,18H,1H3/b17-8+
InChIKeyKRIJHUDDOGINOH-CAOOACKPSA-N
MW324.61 g/mol
LogP4.87
Rot. Bonds2

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

2-bromo-6-[(2-chlorophenyl)iminomethyl]-4-methylphenol (PubChem CID 757958) has the molecular formula C14H11BrClNO and a molecular weight of 324.61 g/mol. Its IUPAC name is 2-bromo-6-[(2-chlorophenyl)iminomethyl]-4-methylphenol.

Molecular Properties

Compound Name2-bromo-6-[(2-chlorophenyl)iminomethyl]-4-methylphenol
PubChem CID757958
Molecular FormulaC14H11BrClNO
Molecular Weight324.61 g/mol
Exact Mass322.97
IUPAC Name2-bromo-6-[(2-chlorophenyl)iminomethyl]-4-methylphenol
SMILESCc1cc(Br)c(O)c(/C=N/c2ccccc2Cl)c1
InChIInChI=1S/C14H11BrClNO/c1-9-6-10(14(18)11(15)7-9)8-17-13-5-3-2-4-12(13)16/h2-8,18H,1H3/b17-8+
InChIKeyKRIJHUDDOGINOH-CAOOACKPSA-N
XLogP4.87
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.61
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-[(2,5-dimethylphenyl)iminomethyl]-4-methylphenol
CID 3639370
2-bromo-6-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-4-methylphenol
CID 4630820
4-methyl-2,6-bis[(2-methylsulfanylphenyl)iminomethyl]phenol
CID 136797753
2-[[2-[(2S)-butan-2-yl]phenyl]iminomethyl]-6-chloro-4-methylphenol
CID 959676
4-bromo-2-[(3-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135592586
2-[[8-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-dimethylphenol
CID 137032211
2-[(2-fluorophenyl)iminomethyl]-6-iodo-4-methylphenol
CID 135988559
2,6-bis[(2,4-dimethylphenyl)iminomethyl]-4-methylphenol
CID 137266730
2-chloro-4-[(2-hydroxyphenyl)methylideneamino]-5-methylphenol
CID 135689629
2-bromo-6-ethenyl-4-methylphenol
CID 177021092
2-tert-butyl-6-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol
CID 158206188
2-bromo-4-tert-butyl-6-[(2-methylsulfanylphenyl)iminomethyl]phenol
CID 137247228

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(2-chlorophenyl)iminomethyl]-4-methylphenol?
The IUPAC name of 2-bromo-6-[(2-chlorophenyl)iminomethyl]-4-methylphenol (CID 757958) is 2-bromo-6-[(2-chlorophenyl)iminomethyl]-4-methylphenol.
What is the SMILES notation for 2-bromo-6-[(2-chlorophenyl)iminomethyl]-4-methylphenol?
The canonical SMILES for 2-bromo-6-[(2-chlorophenyl)iminomethyl]-4-methylphenol is Cc1cc(Br)c(O)c(/C=N/c2ccccc2Cl)c1.
What is the InChIKey of 2-bromo-6-[(2-chlorophenyl)iminomethyl]-4-methylphenol?
The InChIKey is KRIJHUDDOGINOH-CAOOACKPSA-N. The full InChI is InChI=1S/C14H11BrClNO/c1-9-6-10(14(18)11(15)7-9)8-17-13-5-3-2-4-12(13)16/h2-8,18H,1H3/b17-8+.
What are the key properties of 2-bromo-6-[(2-chlorophenyl)iminomethyl]-4-methylphenol?
2-bromo-6-[(2-chlorophenyl)iminomethyl]-4-methylphenol has a molecular weight of 324.61 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(2-chlorophenyl)iminomethyl]-4-methylphenol is sourced from PubChem (CID 757958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).