(2,4-dichlorophenyl) 4-[(2-hydroxy-5-phenylphenyl)iminomethyl]benzoate

C26H17Cl2NO3 — CID 5216862

IUPAC(2,4-dichlorophenyl) 4-[(2-hydroxy-5-phenylphenyl)iminomethyl]benzoate
SMILESO=C(Oc1ccc(Cl)cc1Cl)c1ccc(/C=N/c2cc(-c3ccccc3)ccc2O)cc1
InChIInChI=1S/C26H17Cl2NO3/c27-21-11-13-25(22(28)15-21)32-26(31)19-8-6-17(7-9-19)16-29-23-14-20(10-12-24(23)30)18-4-2-1-3-5-18/h1-16,30H/b29-16+
InChIKeyLFBRDPNYLICQEF-MUFRIFMGSA-N
MW462.33 g/mol
LogP7.34
Rot. Bonds5

About (2,4-dichlorophenyl) 4-[(2-hydroxy-5-phenylphenyl)iminomethyl]benzoate

(2,4-dichlorophenyl) 4-[(2-hydroxy-5-phenylphenyl)iminomethyl]benzoate (PubChem CID 5216862) has the molecular formula C26H17Cl2NO3 and a molecular weight of 462.33 g/mol. Its IUPAC name is (2,4-dichlorophenyl) 4-[(2-hydroxy-5-phenylphenyl)iminomethyl]benzoate.

Molecular Properties

Compound Name(2,4-dichlorophenyl) 4-[(2-hydroxy-5-phenylphenyl)iminomethyl]benzoate
PubChem CID5216862
Molecular FormulaC26H17Cl2NO3
Molecular Weight462.33 g/mol
Exact Mass461.06
IUPAC Name(2,4-dichlorophenyl) 4-[(2-hydroxy-5-phenylphenyl)iminomethyl]benzoate
SMILESO=C(Oc1ccc(Cl)cc1Cl)c1ccc(/C=N/c2cc(-c3ccccc3)ccc2O)cc1
InChIInChI=1S/C26H17Cl2NO3/c27-21-11-13-25(22(28)15-21)32-26(31)19-8-6-17(7-9-19)16-29-23-14-20(10-12-24(23)30)18-4-2-1-3-5-18/h1-16,30H/b29-16+
InChIKeyLFBRDPNYLICQEF-MUFRIFMGSA-N
XLogP7.34
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.33
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,4-dichlorophenyl)methylideneamino]-4-phenylphenol
CID 4059115
(4-chloro-2-methylphenyl) 4-phenylbenzoate
CID 4850627
2-[(5-chloro-2-hydroxyphenyl)iminomethyl]-4-phenylphenol
CID 135620021
2-[(4-phenylphenyl)methylideneamino]phenol
CID 59227908
(4-aminophenyl) 4-[4-(2,4-dichlorophenoxy)carbonylphenyl]benzoate
CID 68526564
(2,4-dichlorophenyl) 2-hydroxybenzoate
CID 520433
(2,4-dichlorophenyl) 3-chlorobenzoate
CID 23011226
[4-[(E)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenyl] benzoate
CID 44791031
[4-[(2-chlorophenyl)iminomethyl]-2-methoxyphenyl] 4-fluorobenzoate
CID 7179994
[4-[(4-chlorophenyl)iminomethyl]phenyl] benzoate
CID 691027
(2-chloro-4-prop-2-enoylphenyl) benzoate
CID 58732628
[2-methoxy-4-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]iminomethyl]phenyl] 4-chlorobenzoate
CID 126029930

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl) 4-[(2-hydroxy-5-phenylphenyl)iminomethyl]benzoate?
The IUPAC name of (2,4-dichlorophenyl) 4-[(2-hydroxy-5-phenylphenyl)iminomethyl]benzoate (CID 5216862) is (2,4-dichlorophenyl) 4-[(2-hydroxy-5-phenylphenyl)iminomethyl]benzoate.
What is the SMILES notation for (2,4-dichlorophenyl) 4-[(2-hydroxy-5-phenylphenyl)iminomethyl]benzoate?
The canonical SMILES for (2,4-dichlorophenyl) 4-[(2-hydroxy-5-phenylphenyl)iminomethyl]benzoate is O=C(Oc1ccc(Cl)cc1Cl)c1ccc(/C=N/c2cc(-c3ccccc3)ccc2O)cc1.
What is the InChIKey of (2,4-dichlorophenyl) 4-[(2-hydroxy-5-phenylphenyl)iminomethyl]benzoate?
The InChIKey is LFBRDPNYLICQEF-MUFRIFMGSA-N. The full InChI is InChI=1S/C26H17Cl2NO3/c27-21-11-13-25(22(28)15-21)32-26(31)19-8-6-17(7-9-19)16-29-23-14-20(10-12-24(23)30)18-4-2-1-3-5-18/h1-16,30H/b29-16+.
What are the key properties of (2,4-dichlorophenyl) 4-[(2-hydroxy-5-phenylphenyl)iminomethyl]benzoate?
(2,4-dichlorophenyl) 4-[(2-hydroxy-5-phenylphenyl)iminomethyl]benzoate has a molecular weight of 462.33 g/mol, XLogP of 7.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl) 4-[(2-hydroxy-5-phenylphenyl)iminomethyl]benzoate is sourced from PubChem (CID 5216862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).