4-chloro-2-[(4-ethenylphenyl)methylideneamino]phenol;N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide;N-(5-chloro-2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;4-chloro-2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol

C62H52Cl4N4O6 — CID 159732993

About 4-chloro-2-[(4-ethenylphenyl)methylideneamino]phenol;N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide;N-(5-chloro-2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;4-chloro-2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol

4-chloro-2-[(4-ethenylphenyl)methylideneamino]phenol;N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide;N-(5-chloro-2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;4-chloro-2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol (PubChem CID 159732993) has the molecular formula C62H52Cl4N4O6 and a molecular weight of 1090.93 g/mol. Its IUPAC name is 4-chloro-2-[(4-ethenylphenyl)methylideneamino]phenol;N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide;N-(5-chloro-2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;4-chloro-2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol.

Molecular Properties

• Compound Name: 4-chloro-2-[(4-ethenylphenyl)methylideneamino]phenol;N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide;N-(5-chloro-2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;4-chloro-2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol
• PubChem CID: 159732993
• Molecular Formula: C62H52Cl4N4O6
• Molecular Weight: 1090.93 g/mol
• Exact Mass: 1088.26
• IUPAC Name: 4-chloro-2-[(4-ethenylphenyl)methylideneamino]phenol;N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide;N-(5-chloro-2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;4-chloro-2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol
• SMILES: C=C(C)c1ccc(/C=N/c2cc(Cl)ccc2O)cc1.C=C(C)c1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1.C=Cc1ccc(/C=N/c2cc(Cl)ccc2O)cc1.C=Cc1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1
• InChI: InChI=1S/C16H14ClNO2.C16H14ClNO.C15H12ClNO2.C15H12ClNO/c1-10(2)11-3-5-12(6-4-11)16(20)18-14-9-13(17)7-8-15(14)19;1-11(2)13-5-3-12(4-6-13)10-18-15-9-14(17)7-8-16(15)19;1-2-10-3-5-11(6-4-10)15(19)17-13-9-12(16)7-8-14(13)18;1-2-11-3-5-12(6-4-11)10-17-14-9-13(16)7-8-15(14)18/h3-9,19H,1H2,2H3,(H,18,20);3-10,19H,1H2,2H3;2-9,18H,1H2,(H,17,19);2-10,18H,1H2/b;18-10+;;17-10+
• InChIKey: NBLYHDBDMVANJB-IXTSCYBISA-N
• XLogP: 17.54
• TPSA: 163.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1090.93
LogP ≤ 5	17.54
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-ethenylphenyl)methylideneamino]phenol;N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide;N-(5-chloro-2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;4-chloro-2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol?

The IUPAC name of 4-chloro-2-[(4-ethenylphenyl)methylideneamino]phenol;N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide;N-(5-chloro-2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;4-chloro-2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol (CID 159732993) is 4-chloro-2-[(4-ethenylphenyl)methylideneamino]phenol;N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide;N-(5-chloro-2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;4-chloro-2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol.

What is the SMILES notation for 4-chloro-2-[(4-ethenylphenyl)methylideneamino]phenol;N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide;N-(5-chloro-2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;4-chloro-2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol?

The canonical SMILES for 4-chloro-2-[(4-ethenylphenyl)methylideneamino]phenol;N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide;N-(5-chloro-2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;4-chloro-2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol is C=C(C)c1ccc(/C=N/c2cc(Cl)ccc2O)cc1.C=C(C)c1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1.C=Cc1ccc(/C=N/c2cc(Cl)ccc2O)cc1.C=Cc1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1.

What is the InChIKey of 4-chloro-2-[(4-ethenylphenyl)methylideneamino]phenol;N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide;N-(5-chloro-2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;4-chloro-2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol?

The InChIKey is NBLYHDBDMVANJB-IXTSCYBISA-N. The full InChI is InChI=1S/C16H14ClNO2.C16H14ClNO.C15H12ClNO2.C15H12ClNO/c1-10(2)11-3-5-12(6-4-11)16(20)18-14-9-13(17)7-8-15(14)19;1-11(2)13-5-3-12(4-6-13)10-18-15-9-14(17)7-8-16(15)19;1-2-10-3-5-11(6-4-10)15(19)17-13-9-12(16)7-8-14(13)18;1-2-11-3-5-12(6-4-11)10-17-14-9-13(16)7-8-15(14)18/h3-9,19H,1H2,2H3,(H,18,20);3-10,19H,1H2,2H3;2-9,18H,1H2,(H,17,19);2-10,18H,1H2/b;18-10+;;17-10+.

What are the key properties of 4-chloro-2-[(4-ethenylphenyl)methylideneamino]phenol;N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide;N-(5-chloro-2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;4-chloro-2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol?

4-chloro-2-[(4-ethenylphenyl)methylideneamino]phenol;N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide;N-(5-chloro-2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;4-chloro-2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol has a molecular weight of 1090.93 g/mol, XLogP of 17.54, 12 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2-[(4-ethenylphenyl)methylideneamino]phenol;N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide;N-(5-chloro-2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;4-chloro-2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol is sourced from PubChem (CID 159732993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).