2-[(E)-[(2-hydroxyphenyl)-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol

C21H18N2O3 — CID 135452587

IUPAC2-[(E)-[(2-hydroxyphenyl)-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/C(/N=C/c1ccccc1O)c1ccccc1O
InChIInChI=1S/C21H18N2O3/c24-18-10-4-1-7-15(18)13-22-21(17-9-3-6-12-20(17)26)23-14-16-8-2-5-11-19(16)25/h1-14,21,24-26H/b22-13+,23-14+
InChIKeyINHDIZFGNSQNTN-MSKUYSOUSA-N
MW346.39 g/mol
LogP4.04
Rot. Bonds5

About 2-[(E)-[(2-hydroxyphenyl)-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol

2-[(E)-[(2-hydroxyphenyl)-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol (PubChem CID 135452587) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[(E)-[(2-hydroxyphenyl)-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[(E)-[(2-hydroxyphenyl)-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol
PubChem CID135452587
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name2-[(E)-[(2-hydroxyphenyl)-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/C(/N=C/c1ccccc1O)c1ccccc1O
InChIInChI=1S/C21H18N2O3/c24-18-10-4-1-7-15(18)13-22-21(17-9-3-6-12-20(17)26)23-14-16-8-2-5-11-19(16)25/h1-14,21,24-26H/b22-13+,23-14+
InChIKeyINHDIZFGNSQNTN-MSKUYSOUSA-N
XLogP4.04
TPSA85.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(2-hydroxyphenyl)-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol?
The IUPAC name of 2-[(E)-[(2-hydroxyphenyl)-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol (CID 135452587) is 2-[(E)-[(2-hydroxyphenyl)-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol.
What is the SMILES notation for 2-[(E)-[(2-hydroxyphenyl)-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol?
The canonical SMILES for 2-[(E)-[(2-hydroxyphenyl)-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol is Oc1ccccc1/C=N/C(/N=C/c1ccccc1O)c1ccccc1O.
What is the InChIKey of 2-[(E)-[(2-hydroxyphenyl)-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol?
The InChIKey is INHDIZFGNSQNTN-MSKUYSOUSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-18-10-4-1-7-15(18)13-22-21(17-9-3-6-12-20(17)26)23-14-16-8-2-5-11-19(16)25/h1-14,21,24-26H/b22-13+,23-14+.
What are the key properties of 2-[(E)-[(2-hydroxyphenyl)-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol?
2-[(E)-[(2-hydroxyphenyl)-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol has a molecular weight of 346.39 g/mol, XLogP of 4.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(2-hydroxyphenyl)-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol is sourced from PubChem (CID 135452587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).