4-bromo-2-chloro-6-[(4-methylphenyl)iminomethyl]phenol

C14H11BrClNO — CID 691077

IUPAC4-bromo-2-chloro-6-[(4-methylphenyl)iminomethyl]phenol
SMILESCc1ccc(/N=C/c2cc(Br)cc(Cl)c2O)cc1
InChIInChI=1S/C14H11BrClNO/c1-9-2-4-12(5-3-9)17-8-10-6-11(15)7-13(16)14(10)18/h2-8,18H,1H3/b17-8+
InChIKeyFDTFHKCLUYOHHY-CAOOACKPSA-N
MW324.61 g/mol
LogP4.87
Rot. Bonds2

About 4-bromo-2-chloro-6-[(4-methylphenyl)iminomethyl]phenol

4-bromo-2-chloro-6-[(4-methylphenyl)iminomethyl]phenol (PubChem CID 691077) has the molecular formula C14H11BrClNO and a molecular weight of 324.61 g/mol. Its IUPAC name is 4-bromo-2-chloro-6-[(4-methylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-chloro-6-[(4-methylphenyl)iminomethyl]phenol
PubChem CID691077
Molecular FormulaC14H11BrClNO
Molecular Weight324.61 g/mol
Exact Mass322.97
IUPAC Name4-bromo-2-chloro-6-[(4-methylphenyl)iminomethyl]phenol
SMILESCc1ccc(/N=C/c2cc(Br)cc(Cl)c2O)cc1
InChIInChI=1S/C14H11BrClNO/c1-9-2-4-12(5-3-9)17-8-10-6-11(15)7-13(16)14(10)18/h2-8,18H,1H3/b17-8+
InChIKeyFDTFHKCLUYOHHY-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-6-[(4-methylphenyl)iminomethyl]phenol?
The IUPAC name of 4-bromo-2-chloro-6-[(4-methylphenyl)iminomethyl]phenol (CID 691077) is 4-bromo-2-chloro-6-[(4-methylphenyl)iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-chloro-6-[(4-methylphenyl)iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-chloro-6-[(4-methylphenyl)iminomethyl]phenol is Cc1ccc(/N=C/c2cc(Br)cc(Cl)c2O)cc1.
What is the InChIKey of 4-bromo-2-chloro-6-[(4-methylphenyl)iminomethyl]phenol?
The InChIKey is FDTFHKCLUYOHHY-CAOOACKPSA-N. The full InChI is InChI=1S/C14H11BrClNO/c1-9-2-4-12(5-3-9)17-8-10-6-11(15)7-13(16)14(10)18/h2-8,18H,1H3/b17-8+.
What are the key properties of 4-bromo-2-chloro-6-[(4-methylphenyl)iminomethyl]phenol?
4-bromo-2-chloro-6-[(4-methylphenyl)iminomethyl]phenol 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 4-bromo-2-chloro-6-[(4-methylphenyl)iminomethyl]phenol is sourced from PubChem (CID 691077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).