2-[[bis(3-methoxyphenoxy)phosphorylhydrazinylidene]methyl]phenol

C21H21N2O6P — CID 4241935

IUPAC2-[[bis(3-methoxyphenoxy)phosphorylhydrazinylidene]methyl]phenol
SMILESCOc1cccc(OP(=O)(NN=Cc2ccccc2O)Oc2cccc(OC)c2)c1
InChIInChI=1S/C21H21N2O6P/c1-26-17-8-5-10-19(13-17)28-30(25,29-20-11-6-9-18(14-20)27-2)23-22-15-16-7-3-4-12-21(16)24/h3-15,24H,1-2H3,(H,23,25)
InChIKeyGUZYLAVFIWLXJR-UHFFFAOYSA-N
MW428.38 g/mol
LogP4.60
Rot. Bonds9

About 2-[[bis(3-methoxyphenoxy)phosphorylhydrazinylidene]methyl]phenol

2-[[bis(3-methoxyphenoxy)phosphorylhydrazinylidene]methyl]phenol (PubChem CID 4241935) has the molecular formula C21H21N2O6P and a molecular weight of 428.38 g/mol. Its IUPAC name is 2-[[bis(3-methoxyphenoxy)phosphorylhydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[[bis(3-methoxyphenoxy)phosphorylhydrazinylidene]methyl]phenol
PubChem CID4241935
Molecular FormulaC21H21N2O6P
Molecular Weight428.38 g/mol
Exact Mass428.11
IUPAC Name2-[[bis(3-methoxyphenoxy)phosphorylhydrazinylidene]methyl]phenol
SMILESCOc1cccc(OP(=O)(NN=Cc2ccccc2O)Oc2cccc(OC)c2)c1
InChIInChI=1S/C21H21N2O6P/c1-26-17-8-5-10-19(13-17)28-30(25,29-20-11-6-9-18(14-20)27-2)23-22-15-16-7-3-4-12-21(16)24/h3-15,24H,1-2H3,(H,23,25)
InChIKeyGUZYLAVFIWLXJR-UHFFFAOYSA-N
XLogP4.60
TPSA98.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.38
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 137156038
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 135763557
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655
2-hydroxy-N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135883025
2-[2-hydroxy-2-(3-methoxyphenyl)ethenyl]phenol
CID 141465495
2-[(Z)-[bis(2,3-dimethylphenoxy)phosphorylhydrazinylidene]methyl]-4-bromophenol
CID 135890288
N-[(2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3470891
5-[[bis(3-methylphenoxy)phosphorylhydrazinylidene]methyl]-6-nitro-1,3-benzodioxole
CID 3259012
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 44507388
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
CID 135479229
N-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]benzamide
CID 3660325
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126395056

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(3-methoxyphenoxy)phosphorylhydrazinylidene]methyl]phenol?
The IUPAC name of 2-[[bis(3-methoxyphenoxy)phosphorylhydrazinylidene]methyl]phenol (CID 4241935) is 2-[[bis(3-methoxyphenoxy)phosphorylhydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[[bis(3-methoxyphenoxy)phosphorylhydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[[bis(3-methoxyphenoxy)phosphorylhydrazinylidene]methyl]phenol is COc1cccc(OP(=O)(NN=Cc2ccccc2O)Oc2cccc(OC)c2)c1.
What is the InChIKey of 2-[[bis(3-methoxyphenoxy)phosphorylhydrazinylidene]methyl]phenol?
The InChIKey is GUZYLAVFIWLXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N2O6P/c1-26-17-8-5-10-19(13-17)28-30(25,29-20-11-6-9-18(14-20)27-2)23-22-15-16-7-3-4-12-21(16)24/h3-15,24H,1-2H3,(H,23,25).
What are the key properties of 2-[[bis(3-methoxyphenoxy)phosphorylhydrazinylidene]methyl]phenol?
2-[[bis(3-methoxyphenoxy)phosphorylhydrazinylidene]methyl]phenol has a molecular weight of 428.38 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(3-methoxyphenoxy)phosphorylhydrazinylidene]methyl]phenol is sourced from PubChem (CID 4241935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).