2,4-dichloro-6-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol

C14H11Cl2NO2 — CID 689207

IUPAC2,4-dichloro-6-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol
SMILESCc1ccc(O)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C14H11Cl2NO2/c1-8-2-3-13(18)12(4-8)17-7-9-5-10(15)6-11(16)14(9)19/h2-7,18-19H,1H3/b17-7+
InChIKeyWLPBXPZHIKFYSO-REZTVBANSA-N
MW296.15 g/mol
LogP4.46
Rot. Bonds2

About 2,4-dichloro-6-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol

2,4-dichloro-6-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol (PubChem CID 689207) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is 2,4-dichloro-6-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol
PubChem CID689207
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Name2,4-dichloro-6-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol
SMILESCc1ccc(O)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C14H11Cl2NO2/c1-8-2-3-13(18)12(4-8)17-7-9-5-10(15)6-11(16)14(9)19/h2-7,18-19H,1H3/b17-7+
InChIKeyWLPBXPZHIKFYSO-REZTVBANSA-N
XLogP4.46
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol (CID 689207) is 2,4-dichloro-6-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol is Cc1ccc(O)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1.
What is the InChIKey of 2,4-dichloro-6-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol?
The InChIKey is WLPBXPZHIKFYSO-REZTVBANSA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c1-8-2-3-13(18)12(4-8)17-7-9-5-10(15)6-11(16)14(9)19/h2-7,18-19H,1H3/b17-7+.
What are the key properties of 2,4-dichloro-6-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol?
2,4-dichloro-6-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol has a molecular weight of 296.15 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol is sourced from PubChem (CID 689207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).