2-hydroperoxypropan-2-yl-(4-methoxyphenyl)diazene

C10H14N2O3 — CID 23583552

IUPAC2-hydroperoxypropan-2-yl-(4-methoxyphenyl)diazene
SMILESCOc1ccc(/N=N/C(C)(C)OO)cc1
InChIInChI=1S/C10H14N2O3/c1-10(2,15-13)12-11-8-4-6-9(14-3)7-5-8/h4-7,13H,1-3H3/b12-11+
InChIKeyQCMHVHNFHVJELX-VAWYXSNFSA-N
MW210.23 g/mol
LogP3.00
Rot. Bonds4

About 2-hydroperoxypropan-2-yl-(4-methoxyphenyl)diazene

2-hydroperoxypropan-2-yl-(4-methoxyphenyl)diazene (PubChem CID 23583552) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-hydroperoxypropan-2-yl-(4-methoxyphenyl)diazene.

Molecular Properties

Compound Name2-hydroperoxypropan-2-yl-(4-methoxyphenyl)diazene
PubChem CID23583552
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-hydroperoxypropan-2-yl-(4-methoxyphenyl)diazene
SMILESCOc1ccc(/N=N/C(C)(C)OO)cc1
InChIInChI=1S/C10H14N2O3/c1-10(2,15-13)12-11-8-4-6-9(14-3)7-5-8/h4-7,13H,1-3H3/b12-11+
InChIKeyQCMHVHNFHVJELX-VAWYXSNFSA-N
XLogP3.00
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 53.00
H-Bond Donors ≤ 51
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'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)-methyldiazene
CID 20589170
tert-butylsulfanyl-(4-methoxyphenyl)diazene
CID 14816148
ethyl 2-[(4-methoxyphenyl)diazenyl]-2-methyl-3-oxobutanoate
CID 44720662
bis[2-(4-methoxyphenyl)propan-2-yl]diazene
CID 101224810
CID 131854773
CID 131854773
(4-methoxyphenyl)iminocyanamide
CID 12569088
N-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine
CID 5197614
5,17-ditert-butyl-11,23-bis[(4-methoxyphenyl)diazenyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
CID 136693847
tert-butyl 2-(4-methoxyphenyl)iminoacetate
CID 10879093
N'-(4-methoxyphenyl)-N,N,2,2-tetramethylpropanimidamide
CID 525889
3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol
CID 86231691
(4-methoxyphenyl)-piperidin-1-yldiazene
CID 12535070

Frequently Asked Questions

What is the IUPAC name of 2-hydroperoxypropan-2-yl-(4-methoxyphenyl)diazene?
The IUPAC name of 2-hydroperoxypropan-2-yl-(4-methoxyphenyl)diazene (CID 23583552) is 2-hydroperoxypropan-2-yl-(4-methoxyphenyl)diazene.
What is the SMILES notation for 2-hydroperoxypropan-2-yl-(4-methoxyphenyl)diazene?
The canonical SMILES for 2-hydroperoxypropan-2-yl-(4-methoxyphenyl)diazene is COc1ccc(/N=N/C(C)(C)OO)cc1.
What is the InChIKey of 2-hydroperoxypropan-2-yl-(4-methoxyphenyl)diazene?
The InChIKey is QCMHVHNFHVJELX-VAWYXSNFSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-10(2,15-13)12-11-8-4-6-9(14-3)7-5-8/h4-7,13H,1-3H3/b12-11+.
What are the key properties of 2-hydroperoxypropan-2-yl-(4-methoxyphenyl)diazene?
2-hydroperoxypropan-2-yl-(4-methoxyphenyl)diazene has a molecular weight of 210.23 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxypropan-2-yl-(4-methoxyphenyl)diazene is sourced from PubChem (CID 23583552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).