2-[[4-[4-[(2-hydroxyphenyl)iminomethyl]phenyl]phenyl]methylideneamino]phenol

C26H20N2O2 — CID 135405846

IUPAC2-[[4-[4-[(2-hydroxyphenyl)iminomethyl]phenyl]phenyl]methylideneamino]phenol
SMILESOc1ccccc1/N=C/c1ccc(-c2ccc(/C=N/c3ccccc3O)cc2)cc1
InChIInChI=1S/C26H20N2O2/c29-25-7-3-1-5-23(25)27-17-19-9-13-21(14-10-19)22-15-11-20(12-16-22)18-28-24-6-2-4-8-26(24)30/h1-18,29-30H/b27-17+,28-18+
InChIKeyVEEKCXYUZZJQTC-XUIWWLCJSA-N
MW392.46 g/mol
LogP6.27
Rot. Bonds5

About 2-[[4-[4-[(2-hydroxyphenyl)iminomethyl]phenyl]phenyl]methylideneamino]phenol

2-[[4-[4-[(2-hydroxyphenyl)iminomethyl]phenyl]phenyl]methylideneamino]phenol (PubChem CID 135405846) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[[4-[4-[(2-hydroxyphenyl)iminomethyl]phenyl]phenyl]methylideneamino]phenol.

Molecular Properties

Compound Name2-[[4-[4-[(2-hydroxyphenyl)iminomethyl]phenyl]phenyl]methylideneamino]phenol
PubChem CID135405846
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC Name2-[[4-[4-[(2-hydroxyphenyl)iminomethyl]phenyl]phenyl]methylideneamino]phenol
SMILESOc1ccccc1/N=C/c1ccc(-c2ccc(/C=N/c3ccccc3O)cc2)cc1
InChIInChI=1S/C26H20N2O2/c29-25-7-3-1-5-23(25)27-17-19-9-13-21(14-10-19)22-15-11-20(12-16-22)18-28-24-6-2-4-8-26(24)30/h1-18,29-30H/b27-17+,28-18+
InChIKeyVEEKCXYUZZJQTC-XUIWWLCJSA-N
XLogP6.27
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 56.27
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-[(2-hydroxyphenyl)iminomethyl]phenyl]phenyl]methylideneamino]phenol?
The IUPAC name of 2-[[4-[4-[(2-hydroxyphenyl)iminomethyl]phenyl]phenyl]methylideneamino]phenol (CID 135405846) is 2-[[4-[4-[(2-hydroxyphenyl)iminomethyl]phenyl]phenyl]methylideneamino]phenol.
What is the SMILES notation for 2-[[4-[4-[(2-hydroxyphenyl)iminomethyl]phenyl]phenyl]methylideneamino]phenol?
The canonical SMILES for 2-[[4-[4-[(2-hydroxyphenyl)iminomethyl]phenyl]phenyl]methylideneamino]phenol is Oc1ccccc1/N=C/c1ccc(-c2ccc(/C=N/c3ccccc3O)cc2)cc1.
What is the InChIKey of 2-[[4-[4-[(2-hydroxyphenyl)iminomethyl]phenyl]phenyl]methylideneamino]phenol?
The InChIKey is VEEKCXYUZZJQTC-XUIWWLCJSA-N. The full InChI is InChI=1S/C26H20N2O2/c29-25-7-3-1-5-23(25)27-17-19-9-13-21(14-10-19)22-15-11-20(12-16-22)18-28-24-6-2-4-8-26(24)30/h1-18,29-30H/b27-17+,28-18+.
What are the key properties of 2-[[4-[4-[(2-hydroxyphenyl)iminomethyl]phenyl]phenyl]methylideneamino]phenol?
2-[[4-[4-[(2-hydroxyphenyl)iminomethyl]phenyl]phenyl]methylideneamino]phenol has a molecular weight of 392.46 g/mol, XLogP of 6.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-[(2-hydroxyphenyl)iminomethyl]phenyl]phenyl]methylideneamino]phenol is sourced from PubChem (CID 135405846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).