1-[2-[4-[(4-methoxyphenoxy)-oxidoamino]oxyphenyl]propan-2-yl]-4-methylbenzene

C23H24NO4- — CID 163733614

IUPAC1-[2-[4-[(4-methoxyphenoxy)-oxidoamino]oxyphenyl]propan-2-yl]-4-methylbenzene
SMILESCOc1ccc(ON([O-])Oc2ccc(C(C)(C)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C23H24NO4/c1-17-5-7-18(8-6-17)23(2,3)19-9-11-21(12-10-19)27-24(25)28-22-15-13-20(26-4)14-16-22/h5-16H,1-4H3/q-1
InChIKeyRIQHITVXCNZAEF-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.42
Rot. Bonds7

About 1-[2-[4-[(4-methoxyphenoxy)-oxidoamino]oxyphenyl]propan-2-yl]-4-methylbenzene

1-[2-[4-[(4-methoxyphenoxy)-oxidoamino]oxyphenyl]propan-2-yl]-4-methylbenzene (PubChem CID 163733614) has the molecular formula C23H24NO4- and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-[2-[4-[(4-methoxyphenoxy)-oxidoamino]oxyphenyl]propan-2-yl]-4-methylbenzene.

Molecular Properties

Compound Name1-[2-[4-[(4-methoxyphenoxy)-oxidoamino]oxyphenyl]propan-2-yl]-4-methylbenzene
PubChem CID163733614
Molecular FormulaC23H24NO4-
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name1-[2-[4-[(4-methoxyphenoxy)-oxidoamino]oxyphenyl]propan-2-yl]-4-methylbenzene
SMILESCOc1ccc(ON([O-])Oc2ccc(C(C)(C)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C23H24NO4/c1-17-5-7-18(8-6-17)23(2,3)19-9-11-21(12-10-19)27-24(25)28-22-15-13-20(26-4)14-16-22/h5-16H,1-4H3/q-1
InChIKeyRIQHITVXCNZAEF-UHFFFAOYSA-N
XLogP5.42
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl]-1-(4-methylphenyl)ethyl]benzene
CID 118446717
methane;1-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-4-methylbenzene
CID 161249508
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenyl]phenyl]sulfonyl-4-methylbenzene
CID 158493330
1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-4-methylbenzene;1-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158201079
1-(113C)methoxy-4-methylbenzene
CID 166176950
ethane;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-4-methylbenzene;1-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenyl]phenyl]sulfonyl-4-methylbenzene
CID 158604521
[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy] hypoiodite
CID 118398991
1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
CID 159097892
1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;1-methyl-4-(4-methylsulfonylphenyl)sulfonylbenzene
CID 157337856
1-methanidyloxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;yttrium
CID 59043103
1,3,5-tris[4-[4-[2-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenoxy]benzene
CID 102304470
N-[4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-bis[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 161292893

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4-methoxyphenoxy)-oxidoamino]oxyphenyl]propan-2-yl]-4-methylbenzene?
The IUPAC name of 1-[2-[4-[(4-methoxyphenoxy)-oxidoamino]oxyphenyl]propan-2-yl]-4-methylbenzene (CID 163733614) is 1-[2-[4-[(4-methoxyphenoxy)-oxidoamino]oxyphenyl]propan-2-yl]-4-methylbenzene.
What is the SMILES notation for 1-[2-[4-[(4-methoxyphenoxy)-oxidoamino]oxyphenyl]propan-2-yl]-4-methylbenzene?
The canonical SMILES for 1-[2-[4-[(4-methoxyphenoxy)-oxidoamino]oxyphenyl]propan-2-yl]-4-methylbenzene is COc1ccc(ON([O-])Oc2ccc(C(C)(C)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 1-[2-[4-[(4-methoxyphenoxy)-oxidoamino]oxyphenyl]propan-2-yl]-4-methylbenzene?
The InChIKey is RIQHITVXCNZAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24NO4/c1-17-5-7-18(8-6-17)23(2,3)19-9-11-21(12-10-19)27-24(25)28-22-15-13-20(26-4)14-16-22/h5-16H,1-4H3/q-1.
What are the key properties of 1-[2-[4-[(4-methoxyphenoxy)-oxidoamino]oxyphenyl]propan-2-yl]-4-methylbenzene?
1-[2-[4-[(4-methoxyphenoxy)-oxidoamino]oxyphenyl]propan-2-yl]-4-methylbenzene has a molecular weight of 378.45 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4-methoxyphenoxy)-oxidoamino]oxyphenyl]propan-2-yl]-4-methylbenzene is sourced from PubChem (CID 163733614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).