1-methyl-3-[(2-methylhydrazinyl)diazenyl]-2-[[2-methyl-4-(3-methylphenoxy)phenoxy]methyl]benzene

C23H26N4O2 — CID 144785124

IUPAC1-methyl-3-[(2-methylhydrazinyl)diazenyl]-2-[[2-methyl-4-(3-methylphenoxy)phenoxy]methyl]benzene
SMILESCNN/N=N/c1cccc(C)c1COc1ccc(Oc2cccc(C)c2)cc1C
InChIInChI=1S/C23H26N4O2/c1-16-7-5-9-19(13-16)29-20-11-12-23(18(3)14-20)28-15-21-17(2)8-6-10-22(21)25-27-26-24-4/h5-14H,15H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyODDYZZAMCAYTAC-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.71
Rot. Bonds8

About 1-methyl-3-[(2-methylhydrazinyl)diazenyl]-2-[[2-methyl-4-(3-methylphenoxy)phenoxy]methyl]benzene

1-methyl-3-[(2-methylhydrazinyl)diazenyl]-2-[[2-methyl-4-(3-methylphenoxy)phenoxy]methyl]benzene (PubChem CID 144785124) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-methyl-3-[(2-methylhydrazinyl)diazenyl]-2-[[2-methyl-4-(3-methylphenoxy)phenoxy]methyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[(2-methylhydrazinyl)diazenyl]-2-[[2-methyl-4-(3-methylphenoxy)phenoxy]methyl]benzene
PubChem CID144785124
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-methyl-3-[(2-methylhydrazinyl)diazenyl]-2-[[2-methyl-4-(3-methylphenoxy)phenoxy]methyl]benzene
SMILESCNN/N=N/c1cccc(C)c1COc1ccc(Oc2cccc(C)c2)cc1C
InChIInChI=1S/C23H26N4O2/c1-16-7-5-9-19(13-16)29-20-11-12-23(18(3)14-20)28-15-21-17(2)8-6-10-22(21)25-27-26-24-4/h5-14H,15H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyODDYZZAMCAYTAC-UHFFFAOYSA-N
XLogP5.71
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,3-dimethyl-2-[(2-methyl-4-phenoxyphenoxy)methyl]aniline
CID 144784982
1-iodo-2-methyl-4-(3-methylphenoxy)benzene
CID 135130038
O-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl] N-methylcarbamothioate
CID 122646183
2-[(2-chloro-4-methylphenoxy)methyl]-1-methyl-3-(sulfinylamino)benzene
CID 118244207
3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenol
CID 129110182
methyl 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzoate
CID 121367532
1-ethyl-4-(3-methylphenoxy)benzene
CID 54200256
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
2-methyl-4-(3-methylphenoxy)-1-nitrobenzene
CID 21071560
2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
CID 118244198
N-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]ethanamine
CID 55221832
N-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63551068

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2-methylhydrazinyl)diazenyl]-2-[[2-methyl-4-(3-methylphenoxy)phenoxy]methyl]benzene?
The IUPAC name of 1-methyl-3-[(2-methylhydrazinyl)diazenyl]-2-[[2-methyl-4-(3-methylphenoxy)phenoxy]methyl]benzene (CID 144785124) is 1-methyl-3-[(2-methylhydrazinyl)diazenyl]-2-[[2-methyl-4-(3-methylphenoxy)phenoxy]methyl]benzene.
What is the SMILES notation for 1-methyl-3-[(2-methylhydrazinyl)diazenyl]-2-[[2-methyl-4-(3-methylphenoxy)phenoxy]methyl]benzene?
The canonical SMILES for 1-methyl-3-[(2-methylhydrazinyl)diazenyl]-2-[[2-methyl-4-(3-methylphenoxy)phenoxy]methyl]benzene is CNN/N=N/c1cccc(C)c1COc1ccc(Oc2cccc(C)c2)cc1C.
What is the InChIKey of 1-methyl-3-[(2-methylhydrazinyl)diazenyl]-2-[[2-methyl-4-(3-methylphenoxy)phenoxy]methyl]benzene?
The InChIKey is ODDYZZAMCAYTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-7-5-9-19(13-16)29-20-11-12-23(18(3)14-20)28-15-21-17(2)8-6-10-22(21)25-27-26-24-4/h5-14H,15H2,1-4H3,(H,24,27)(H,25,26).
What are the key properties of 1-methyl-3-[(2-methylhydrazinyl)diazenyl]-2-[[2-methyl-4-(3-methylphenoxy)phenoxy]methyl]benzene?
1-methyl-3-[(2-methylhydrazinyl)diazenyl]-2-[[2-methyl-4-(3-methylphenoxy)phenoxy]methyl]benzene has a molecular weight of 390.49 g/mol, XLogP of 5.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-methylhydrazinyl)diazenyl]-2-[[2-methyl-4-(3-methylphenoxy)phenoxy]methyl]benzene is sourced from PubChem (CID 144785124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).