4-[2-(4-amino-3-hydroperoxyphenoxy)phenoxy]-2-hydroperoxyaniline

C18H16N2O6 — CID 161452691

IUPAC4-[2-(4-amino-3-hydroperoxyphenoxy)phenoxy]-2-hydroperoxyaniline
SMILESNc1ccc(Oc2ccccc2Oc2ccc(N)c(OO)c2)cc1OO
InChIInChI=1S/C18H16N2O6/c19-13-7-5-11(9-17(13)25-21)23-15-3-1-2-4-16(15)24-12-6-8-14(20)18(10-12)26-22/h1-10,21-22H,19-20H2
InChIKeyWASXMVJLZDTURZ-UHFFFAOYSA-N
MW356.33 g/mol
LogP4.14
Rot. Bonds6

About 4-[2-(4-amino-3-hydroperoxyphenoxy)phenoxy]-2-hydroperoxyaniline

4-[2-(4-amino-3-hydroperoxyphenoxy)phenoxy]-2-hydroperoxyaniline (PubChem CID 161452691) has the molecular formula C18H16N2O6 and a molecular weight of 356.33 g/mol. Its IUPAC name is 4-[2-(4-amino-3-hydroperoxyphenoxy)phenoxy]-2-hydroperoxyaniline.

Molecular Properties

Compound Name4-[2-(4-amino-3-hydroperoxyphenoxy)phenoxy]-2-hydroperoxyaniline
PubChem CID161452691
Molecular FormulaC18H16N2O6
Molecular Weight356.33 g/mol
Exact Mass356.10
IUPAC Name4-[2-(4-amino-3-hydroperoxyphenoxy)phenoxy]-2-hydroperoxyaniline
SMILESNc1ccc(Oc2ccccc2Oc2ccc(N)c(OO)c2)cc1OO
InChIInChI=1S/C18H16N2O6/c19-13-7-5-11(9-17(13)25-21)23-15-3-1-2-4-16(15)24-12-6-8-14(20)18(10-12)26-22/h1-10,21-22H,19-20H2
InChIKeyWASXMVJLZDTURZ-UHFFFAOYSA-N
XLogP4.14
TPSA129.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 54.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 22338373
2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338470
4-[2-(4-aminophenoxy)phenoxy]aniline
CID 15373719
3-[4-[2-[2-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338564
3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338441
3-[2-[4-[3-[2-[3-[4-[2-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338477
4-[4-amino-3-(4-carboxyphenoxy)phenoxy]benzoic acid
CID 122388831
1-hydroperoxy-2-(2-hydroperoxyphenoxy)benzene
CID 22065421
4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338538
2-methoxy-4-(2-propan-2-ylphenoxy)aniline
CID 55231972
2-(4-amino-3-methoxyphenoxy)benzonitrile
CID 63677591
2-ethoxy-4-(2-iodophenoxy)aniline
CID 63675223

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-amino-3-hydroperoxyphenoxy)phenoxy]-2-hydroperoxyaniline?
The IUPAC name of 4-[2-(4-amino-3-hydroperoxyphenoxy)phenoxy]-2-hydroperoxyaniline (CID 161452691) is 4-[2-(4-amino-3-hydroperoxyphenoxy)phenoxy]-2-hydroperoxyaniline.
What is the SMILES notation for 4-[2-(4-amino-3-hydroperoxyphenoxy)phenoxy]-2-hydroperoxyaniline?
The canonical SMILES for 4-[2-(4-amino-3-hydroperoxyphenoxy)phenoxy]-2-hydroperoxyaniline is Nc1ccc(Oc2ccccc2Oc2ccc(N)c(OO)c2)cc1OO.
What is the InChIKey of 4-[2-(4-amino-3-hydroperoxyphenoxy)phenoxy]-2-hydroperoxyaniline?
The InChIKey is WASXMVJLZDTURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O6/c19-13-7-5-11(9-17(13)25-21)23-15-3-1-2-4-16(15)24-12-6-8-14(20)18(10-12)26-22/h1-10,21-22H,19-20H2.
What are the key properties of 4-[2-(4-amino-3-hydroperoxyphenoxy)phenoxy]-2-hydroperoxyaniline?
4-[2-(4-amino-3-hydroperoxyphenoxy)phenoxy]-2-hydroperoxyaniline has a molecular weight of 356.33 g/mol, XLogP of 4.14, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-amino-3-hydroperoxyphenoxy)phenoxy]-2-hydroperoxyaniline is sourced from PubChem (CID 161452691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).