[2-[[5-amino-2-[[5-amino-2-[[5-amino-2-[(5-amino-2-methoxyphenyl)methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]-5-methylphenyl]methanol

C37H40N4O10 — CID 123522185

IUPAC[2-[[5-amino-2-[[5-amino-2-[[5-amino-2-[(5-amino-2-methoxyphenyl)methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]-5-methylphenyl]methanol
SMILESCOc1ccc(N)cc1COOc1ccc(N)cc1COOc1ccc(N)cc1COOc1ccc(N)cc1COOc1ccc(C)cc1CO
InChIInChI=1S/C37H40N4O10/c1-23-3-8-34(24(13-23)18-42)48-45-20-26-15-30(39)6-11-36(26)50-47-22-28-17-32(41)7-12-37(28)51-46-21-27-16-31(40)5-10-35(27)49-44-19-25-14-29(38)4-9-33(25)43-2/h3-17,42H,18-22,38-41H2,1-2H3
InChIKeyYXTQHQFKVCCIQY-UHFFFAOYSA-N
MW700.75 g/mol
LogP5.87
Rot. Bonds18

About [2-[[5-amino-2-[[5-amino-2-[[5-amino-2-[(5-amino-2-methoxyphenyl)methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]-5-methylphenyl]methanol

[2-[[5-amino-2-[[5-amino-2-[[5-amino-2-[(5-amino-2-methoxyphenyl)methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]-5-methylphenyl]methanol (PubChem CID 123522185) has the molecular formula C37H40N4O10 and a molecular weight of 700.75 g/mol. Its IUPAC name is [2-[[5-amino-2-[[5-amino-2-[[5-amino-2-[(5-amino-2-methoxyphenyl)methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]-5-methylphenyl]methanol.

Molecular Properties

Compound Name[2-[[5-amino-2-[[5-amino-2-[[5-amino-2-[(5-amino-2-methoxyphenyl)methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]-5-methylphenyl]methanol
PubChem CID123522185
Molecular FormulaC37H40N4O10
Molecular Weight700.75 g/mol
Exact Mass700.27
IUPAC Name[2-[[5-amino-2-[[5-amino-2-[[5-amino-2-[(5-amino-2-methoxyphenyl)methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]-5-methylphenyl]methanol
SMILESCOc1ccc(N)cc1COOc1ccc(N)cc1COOc1ccc(N)cc1COOc1ccc(N)cc1COOc1ccc(C)cc1CO
InChIInChI=1S/C37H40N4O10/c1-23-3-8-34(24(13-23)18-42)48-45-20-26-15-30(39)6-11-36(26)50-47-22-28-17-32(41)7-12-37(28)51-46-21-27-16-31(40)5-10-35(27)49-44-19-25-14-29(38)4-9-33(25)43-2/h3-17,42H,18-22,38-41H2,1-2H3
InChIKeyYXTQHQFKVCCIQY-UHFFFAOYSA-N
XLogP5.87
TPSA207.38 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500700.75
LogP ≤ 55.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

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'}

Analyze [2-[[5-amino-2-[[5-amino-2-[[5-amino-2-[(5-amino-2-methoxyphenyl)methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]-5-methylphenyl]methanol with MolForge

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Related Compounds

4-[(2-methoxy-5-methylphenyl)methoxymethyl]aniline
CID 62155640
(2-methoxy-5-methylphenyl)methyl 4-aminobenzoate
CID 60730788
3-[(3,5-dimethylphenoxy)methyl]-4-methoxyaniline
CID 43247193
3-[(2-methoxy-5-methylphenyl)methoxy]aniline
CID 61034710
2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83933019
4-methoxy-3-(prop-2-enoxymethyl)aniline
CID 53363952
3-[(4-bromophenoxy)methyl]-4-methoxyaniline
CID 43134652
3-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 62160017
methyl 2-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropanoate
CID 106487848
4-methoxy-3-[(2,3,6-trimethylphenoxy)methyl]aniline
CID 43167583
3-chloro-4-[(2-methoxy-5-methylphenyl)methylsulfanyl]aniline
CID 43305207
(2-methoxy-5-methylphenyl)methyl 2-aminobenzoate
CID 60730510

Frequently Asked Questions

What is the IUPAC name of [2-[[5-amino-2-[[5-amino-2-[[5-amino-2-[(5-amino-2-methoxyphenyl)methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]-5-methylphenyl]methanol?
The IUPAC name of [2-[[5-amino-2-[[5-amino-2-[[5-amino-2-[(5-amino-2-methoxyphenyl)methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]-5-methylphenyl]methanol (CID 123522185) is [2-[[5-amino-2-[[5-amino-2-[[5-amino-2-[(5-amino-2-methoxyphenyl)methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]-5-methylphenyl]methanol.
What is the SMILES notation for [2-[[5-amino-2-[[5-amino-2-[[5-amino-2-[(5-amino-2-methoxyphenyl)methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]-5-methylphenyl]methanol?
The canonical SMILES for [2-[[5-amino-2-[[5-amino-2-[[5-amino-2-[(5-amino-2-methoxyphenyl)methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]-5-methylphenyl]methanol is COc1ccc(N)cc1COOc1ccc(N)cc1COOc1ccc(N)cc1COOc1ccc(N)cc1COOc1ccc(C)cc1CO.
What is the InChIKey of [2-[[5-amino-2-[[5-amino-2-[[5-amino-2-[(5-amino-2-methoxyphenyl)methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]-5-methylphenyl]methanol?
The InChIKey is YXTQHQFKVCCIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40N4O10/c1-23-3-8-34(24(13-23)18-42)48-45-20-26-15-30(39)6-11-36(26)50-47-22-28-17-32(41)7-12-37(28)51-46-21-27-16-31(40)5-10-35(27)49-44-19-25-14-29(38)4-9-33(25)43-2/h3-17,42H,18-22,38-41H2,1-2H3.
What are the key properties of [2-[[5-amino-2-[[5-amino-2-[[5-amino-2-[(5-amino-2-methoxyphenyl)methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]-5-methylphenyl]methanol?
[2-[[5-amino-2-[[5-amino-2-[[5-amino-2-[(5-amino-2-methoxyphenyl)methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]-5-methylphenyl]methanol has a molecular weight of 700.75 g/mol, XLogP of 5.87, 18 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-amino-2-[[5-amino-2-[[5-amino-2-[(5-amino-2-methoxyphenyl)methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]-5-methylphenyl]methanol is sourced from PubChem (CID 123522185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).