4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2-methoxyphenol

C20H19N2O2PS — CID 135512426

IUPAC4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/NP(=S)(c2ccccc2)c2ccccc2)ccc1O
InChIInChI=1S/C20H19N2O2PS/c1-24-20-14-16(12-13-19(20)23)15-21-22-25(26,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,23H,1H3,(H,22,26)/b21-15+
InChIKeyLJEJOXMBOGSSEP-RCCKNPSSSA-N
MW382.43 g/mol
LogP3.37
Rot. Bonds6

About 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2-methoxyphenol

4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2-methoxyphenol (PubChem CID 135512426) has the molecular formula C20H19N2O2PS and a molecular weight of 382.43 g/mol. Its IUPAC name is 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2-methoxyphenol
PubChem CID135512426
Molecular FormulaC20H19N2O2PS
Molecular Weight382.43 g/mol
Exact Mass382.09
IUPAC Name4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/NP(=S)(c2ccccc2)c2ccccc2)ccc1O
InChIInChI=1S/C20H19N2O2PS/c1-24-20-14-16(12-13-19(20)23)15-21-22-25(26,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,23H,1H3,(H,22,26)/b21-15+
InChIKeyLJEJOXMBOGSSEP-RCCKNPSSSA-N
XLogP3.37
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

Veratraldehyde azine
CID 9566466
Benzaldehyde, 4-hydroxy-3-methoxy-, 2-[(4-hydroxy-3-methoxyphenyl)methylene]hydrazone
CID 135414383
4-Hydroxy-3,5-dimethoxybenzaldehyde azine
CID 135401234
3-Ethoxy-4-hydroxybenzaldehyde (3-ethoxy-4-hydroxybenzylidene)hydrazone
CID 135418706
(C(E))-4-Hydroxy-3-methoxybenzaldehyde oxime
CID 135431232
Syringaldazine
CID 84422
N,N'-Bis(2-hydroxy-3-methoxy-benzylidene)propane-1,3-diamine
CID 256920
N,N'-bis(2-hydroxy-3-Methoxy-benzylidene)ethylenediaMine
CID 5232078
N,N'-Divanillylideneethylenediamine
CID 1809459
1,2-Bis(2-hydroxy-3-methoxybenzylidene)hydrazine
CID 135473163
4-Hydroxy-3-methoxybenzaldehyde 2-((4-hydroxy-3-methoxyphenyl)methylene)hydrazone
CID 74331
5-[(Fluoren-9-ylidenehydrazinylidene)methyl]-2-methoxyphenol
CID 274584

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2-methoxyphenol (CID 135512426) is 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2-methoxyphenol is COc1cc(/C=N/NP(=S)(c2ccccc2)c2ccccc2)ccc1O.
What is the InChIKey of 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2-methoxyphenol?
The InChIKey is LJEJOXMBOGSSEP-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H19N2O2PS/c1-24-20-14-16(12-13-19(20)23)15-21-22-25(26,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,23H,1H3,(H,22,26)/b21-15+.
What are the key properties of 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2-methoxyphenol?
4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2-methoxyphenol has a molecular weight of 382.43 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2-methoxyphenol is sourced from PubChem (CID 135512426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).