2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol

C13H8Cl3NO — CID 710336

IUPAC2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/c1cccc(Cl)c1
InChIInChI=1S/C13H8Cl3NO/c14-9-2-1-3-11(5-9)17-7-8-4-10(15)6-12(16)13(8)18/h1-7,18H/b17-7+
InChIKeyBQCKBJFBPOHHLB-REZTVBANSA-N
MW300.57 g/mol
LogP5.10
Rot. Bonds2

About 2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol

2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol (PubChem CID 710336) has the molecular formula C13H8Cl3NO and a molecular weight of 300.57 g/mol. Its IUPAC name is 2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol
PubChem CID710336
Molecular FormulaC13H8Cl3NO
Molecular Weight300.57 g/mol
Exact Mass298.97
IUPAC Name2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/c1cccc(Cl)c1
InChIInChI=1S/C13H8Cl3NO/c14-9-2-1-3-11(5-9)17-7-8-4-10(15)6-12(16)13(8)18/h1-7,18H/b17-7+
InChIKeyBQCKBJFBPOHHLB-REZTVBANSA-N
XLogP5.10
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.57
LogP ≤ 55.10
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 2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol (CID 710336) is 2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol is Oc1c(Cl)cc(Cl)cc1/C=N/c1cccc(Cl)c1.
What is the InChIKey of 2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol?
The InChIKey is BQCKBJFBPOHHLB-REZTVBANSA-N. The full InChI is InChI=1S/C13H8Cl3NO/c14-9-2-1-3-11(5-9)17-7-8-4-10(15)6-12(16)13(8)18/h1-7,18H/b17-7+.
What are the key properties of 2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol?
2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol has a molecular weight of 300.57 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol is sourced from PubChem (CID 710336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).