4-[(E)-[[[[(E)-(4-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol

C22H23N4O3P — CID 139145587

IUPAC4-[(E)-[[[[(E)-(4-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol
SMILESCN(/N=C/c1ccc(O)cc1)P(=O)(c1ccccc1)N(C)/N=C/c1ccc(O)cc1
InChIInChI=1S/C22H23N4O3P/c1-25(23-16-18-8-12-20(27)13-9-18)30(29,22-6-4-3-5-7-22)26(2)24-17-19-10-14-21(28)15-11-19/h3-17,27-28H,1-2H3/b23-16+,24-17+
InChIKeyXAMXQXMHNULBRL-WPHIWBHXSA-N
MW422.43 g/mol
LogP3.85
Rot. Bonds7

About 4-[(E)-[[[[(E)-(4-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol

4-[(E)-[[[[(E)-(4-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol (PubChem CID 139145587) has the molecular formula C22H23N4O3P and a molecular weight of 422.43 g/mol. Its IUPAC name is 4-[(E)-[[[[(E)-(4-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[[[[(E)-(4-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol
PubChem CID139145587
Molecular FormulaC22H23N4O3P
Molecular Weight422.43 g/mol
Exact Mass422.15
IUPAC Name4-[(E)-[[[[(E)-(4-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol
SMILESCN(/N=C/c1ccc(O)cc1)P(=O)(c1ccccc1)N(C)/N=C/c1ccc(O)cc1
InChIInChI=1S/C22H23N4O3P/c1-25(23-16-18-8-12-20(27)13-9-18)30(29,22-6-4-3-5-7-22)26(2)24-17-19-10-14-21(28)15-11-19/h3-17,27-28H,1-2H3/b23-16+,24-17+
InChIKeyXAMXQXMHNULBRL-WPHIWBHXSA-N
XLogP3.85
TPSA88.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[[[[(E)-(4-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[[[[(E)-(4-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol (CID 139145587) is 4-[(E)-[[[[(E)-(4-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[[[[(E)-(4-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[[[[(E)-(4-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol is CN(/N=C/c1ccc(O)cc1)P(=O)(c1ccccc1)N(C)/N=C/c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-[[[[(E)-(4-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol?
The InChIKey is XAMXQXMHNULBRL-WPHIWBHXSA-N. The full InChI is InChI=1S/C22H23N4O3P/c1-25(23-16-18-8-12-20(27)13-9-18)30(29,22-6-4-3-5-7-22)26(2)24-17-19-10-14-21(28)15-11-19/h3-17,27-28H,1-2H3/b23-16+,24-17+.
What are the key properties of 4-[(E)-[[[[(E)-(4-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol?
4-[(E)-[[[[(E)-(4-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol has a molecular weight of 422.43 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[[[[(E)-(4-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol is sourced from PubChem (CID 139145587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).