1-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methyl]-2-phenylhydrazine

C21H19Cl3N2O2 — CID 169385117

IUPAC1-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methyl]-2-phenylhydrazine
SMILESCOc1ccc(CNNc2ccccc2)cc1COc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C21H19Cl3N2O2/c1-27-20-8-7-14(12-25-26-17-5-3-2-4-6-17)9-15(20)13-28-21-18(23)10-16(22)11-19(21)24/h2-11,25-26H,12-13H2,1H3
InChIKeyRILYWKXCPHPESC-UHFFFAOYSA-N
MW437.75 g/mol
LogP6.35
Rot. Bonds8

About 1-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methyl]-2-phenylhydrazine

1-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methyl]-2-phenylhydrazine (PubChem CID 169385117) has the molecular formula C21H19Cl3N2O2 and a molecular weight of 437.75 g/mol. Its IUPAC name is 1-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methyl]-2-phenylhydrazine
PubChem CID169385117
Molecular FormulaC21H19Cl3N2O2
Molecular Weight437.75 g/mol
Exact Mass436.05
IUPAC Name1-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methyl]-2-phenylhydrazine
SMILESCOc1ccc(CNNc2ccccc2)cc1COc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C21H19Cl3N2O2/c1-27-20-8-7-14(12-25-26-17-5-3-2-4-6-17)9-15(20)13-28-21-18(23)10-16(22)11-19(21)24/h2-11,25-26H,12-13H2,1H3
InChIKeyRILYWKXCPHPESC-UHFFFAOYSA-N
XLogP6.35
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.75
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169385134
1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169386081
1-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169386308
1-[[3-(methoxymethyl)-4-propoxyphenyl]methyl]-2-phenylhydrazine
CID 169386185
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169384519
1-[(3-chloro-4-pentoxyphenyl)methyl]-2-phenylhydrazine
CID 169384780
1-[(3,4-dimethoxy-5-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386843
1-[(2,5-dimethoxyphenyl)methyl]-2-phenylhydrazine
CID 169384341
1-[[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169385669
[3,5-dichloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanol
CID 43646746
1-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385676
1-[(4,6-dichloro-2-fluoro-3-methoxyphenyl)methyl]-2-phenylhydrazine
CID 169386720

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methyl]-2-phenylhydrazine?
The IUPAC name of 1-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methyl]-2-phenylhydrazine (CID 169385117) is 1-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methyl]-2-phenylhydrazine is COc1ccc(CNNc2ccccc2)cc1COc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 1-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methyl]-2-phenylhydrazine?
The InChIKey is RILYWKXCPHPESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl3N2O2/c1-27-20-8-7-14(12-25-26-17-5-3-2-4-6-17)9-15(20)13-28-21-18(23)10-16(22)11-19(21)24/h2-11,25-26H,12-13H2,1H3.
What are the key properties of 1-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methyl]-2-phenylhydrazine?
1-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methyl]-2-phenylhydrazine has a molecular weight of 437.75 g/mol, XLogP of 6.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methyl]-2-phenylhydrazine is sourced from PubChem (CID 169385117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).