4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol

C19H17N2OPS — CID 135501969

IUPAC4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol
SMILESOc1ccc(/C=N/NP(=S)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H17N2OPS/c22-17-13-11-16(12-14-17)15-20-21-23(24,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15,22H,(H,21,24)/b20-15+
InChIKeyQWFOKHKZEGBJHS-HMMYKYKNSA-N
MW352.40 g/mol
LogP3.36
Rot. Bonds5

About 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol

4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol (PubChem CID 135501969) has the molecular formula C19H17N2OPS and a molecular weight of 352.40 g/mol. Its IUPAC name is 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol
PubChem CID135501969
Molecular FormulaC19H17N2OPS
Molecular Weight352.40 g/mol
Exact Mass352.08
IUPAC Name4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol
SMILESOc1ccc(/C=N/NP(=S)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H17N2OPS/c22-17-13-11-16(12-14-17)15-20-21-23(24,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15,22H,(H,21,24)/b20-15+
InChIKeyQWFOKHKZEGBJHS-HMMYKYKNSA-N
XLogP3.36
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-hydroxybenzaldehyde [(1E)-(4-hydroxyphenyl)methylene]hydrazone
CID 135460511
(4Z)-4-[(2-diphenylphosphinothioylhydrazinyl)methylidene]-2-hydroxycyclohexa-2,5-dien-1-one
CID 135501981
2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol
CID 135519938
Acetic acid, (diphenylphosphinyl)-, ((4-hydroxyphenyl)methylene)hydrazide
CID 135611784
3-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol
CID 6902332
4-Hydroxybenzaldehyde [(1E)-(4-hydroxyphenyl)-methylene]hydrazone
CID 230660
4-Hydroxy-benzaldehyde hydrazone
CID 135726519
4-[(1E,3S,6E,8E)-3-ethenyl-8-hydrazinylidene-3,7-dimethylocta-1,6-dienyl]phenol
CID 127032856
4-[[2-[(4-Oxocyclohexa-2,5-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,5-dien-1-one
CID 219485
2-{(E)-[(diphenylmethylidene)hydrazinylidene]methyl}phenol
CID 135541809
1-(difluoromethoxy)-4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene
CID 6901356
4-[(E)-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]methyl]phenol
CID 135860805

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol?
The IUPAC name of 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol (CID 135501969) is 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol?
The canonical SMILES for 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol is Oc1ccc(/C=N/NP(=S)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol?
The InChIKey is QWFOKHKZEGBJHS-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H17N2OPS/c22-17-13-11-16(12-14-17)15-20-21-23(24,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15,22H,(H,21,24)/b20-15+.
What are the key properties of 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol?
4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol has a molecular weight of 352.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135501969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).