2-[(E)-[(E)-[4-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylidenehydrazinylidene]methyl]phenol

C22H18N4O2 — CID 135911153

IUPAC2-[(E)-[(E)-[4-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylidenehydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N/N=C/c1ccc(/C=N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C22H18N4O2/c27-21-7-3-1-5-19(21)15-25-23-13-17-9-11-18(12-10-17)14-24-26-16-20-6-2-4-8-22(20)28/h1-16,27-28H/b23-13+,24-14+,25-15+,26-16+
InChIKeyBBCLKQXZKKYJPJ-HWWGJKEPSA-N
MW370.41 g/mol
LogP4.00
Rot. Bonds6

About 2-[(E)-[(E)-[4-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylidenehydrazinylidene]methyl]phenol

2-[(E)-[(E)-[4-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylidenehydrazinylidene]methyl]phenol (PubChem CID 135911153) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[(E)-[(E)-[4-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylidenehydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[(E)-[4-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylidenehydrazinylidene]methyl]phenol
PubChem CID135911153
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name2-[(E)-[(E)-[4-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylidenehydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N/N=C/c1ccc(/C=N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C22H18N4O2/c27-21-7-3-1-5-19(21)15-25-23-13-17-9-11-18(12-10-17)14-24-26-16-20-6-2-4-8-22(20)28/h1-16,27-28H/b23-13+,24-14+,25-15+,26-16+
InChIKeyBBCLKQXZKKYJPJ-HWWGJKEPSA-N
XLogP4.00
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]phenol
CID 135478785
2-[[(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 3949149
2-[(E)-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135478768
2-[(E)-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135821844
2-[(E)-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135478776
2-[1-[(2-hydroxyphenyl)methylideneamino]prop-1-enyliminomethyl]phenol
CID 173045611
2-[(Z)-[(E)-furan-2-ylmethylidenehydrazinylidene]methyl]phenol
CID 135478746
zinc 2-(methyliminomethyl)phenol
CID 135422153
copper 2-[(E)-hydroxyiminomethyl]phenol
CID 135422084
ethane;2-(methyliminomethyl)phenol
CID 136650397
cobalt;bis(2-(hydroxyiminomethyl)phenol)
CID 158420458
2-[(E)-fluoroiminomethyl]phenol
CID 137273576

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(E)-[4-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylidenehydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[(E)-[4-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylidenehydrazinylidene]methyl]phenol (CID 135911153) is 2-[(E)-[(E)-[4-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylidenehydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[(E)-[4-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylidenehydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[(E)-[4-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylidenehydrazinylidene]methyl]phenol is Oc1ccccc1/C=N/N=C/c1ccc(/C=N/N=C/c2ccccc2O)cc1.
What is the InChIKey of 2-[(E)-[(E)-[4-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylidenehydrazinylidene]methyl]phenol?
The InChIKey is BBCLKQXZKKYJPJ-HWWGJKEPSA-N. The full InChI is InChI=1S/C22H18N4O2/c27-21-7-3-1-5-19(21)15-25-23-13-17-9-11-18(12-10-17)14-24-26-16-20-6-2-4-8-22(20)28/h1-16,27-28H/b23-13+,24-14+,25-15+,26-16+.
What are the key properties of 2-[(E)-[(E)-[4-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylidenehydrazinylidene]methyl]phenol?
2-[(E)-[(E)-[4-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylidenehydrazinylidene]methyl]phenol has a molecular weight of 370.41 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(E)-[4-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylidenehydrazinylidene]methyl]phenol is sourced from PubChem (CID 135911153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).