1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene

C13H12O5 — CID 144731545

IUPAC1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene
SMILESCOc1ccc(OOc2ccc(OO)cc2)cc1
InChIInChI=1S/C13H12O5/c1-15-10-2-6-12(7-3-10)17-18-13-8-4-11(16-14)5-9-13/h2-9,14H,1H3
InChIKeyMLULVJUSRACQAB-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.92
Rot. Bonds5

About 1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene

1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene (PubChem CID 144731545) has the molecular formula C13H12O5 and a molecular weight of 248.23 g/mol. Its IUPAC name is 1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene.

Molecular Properties

Compound Name1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene
PubChem CID144731545
Molecular FormulaC13H12O5
Molecular Weight248.23 g/mol
Exact Mass248.07
IUPAC Name1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene
SMILESCOc1ccc(OOc2ccc(OO)cc2)cc1
InChIInChI=1S/C13H12O5/c1-15-10-2-6-12(7-3-10)17-18-13-8-4-11(16-14)5-9-13/h2-9,14H,1H3
InChIKeyMLULVJUSRACQAB-UHFFFAOYSA-N
XLogP2.92
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene;methanol
CID 144731544
2-hydroperoxy-7-methoxynaphthalene
CID 142950271
(4-methoxyphenoxy) hypoiodite
CID 145476499
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
methane;4-methoxyphenol
CID 159494332
1-(113C)methoxy-4-methylbenzene
CID 166176950
CID 12714057
CID 12714057
bis(4-methoxyphenol);zirconium(2+);dichloride
CID 172849740
1-methoxy-4-[4-[1-[4-(4-methoxyphenoxy)phenyl]ethenyl]phenoxy]benzene
CID 21292587
1,3-bis(4-methoxyphenyl)urea
CID 139045428
trihydroxy-(4-methoxyphenyl)-λ4-sulfane
CID 91517982
[4-(4-methoxyphenoxy)phenyl]borane
CID 88897158

Frequently Asked Questions

What is the IUPAC name of 1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene?
The IUPAC name of 1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene (CID 144731545) is 1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene.
What is the SMILES notation for 1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene?
The canonical SMILES for 1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene is COc1ccc(OOc2ccc(OO)cc2)cc1.
What is the InChIKey of 1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene?
The InChIKey is MLULVJUSRACQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O5/c1-15-10-2-6-12(7-3-10)17-18-13-8-4-11(16-14)5-9-13/h2-9,14H,1H3.
What are the key properties of 1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene?
1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene has a molecular weight of 248.23 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene is sourced from PubChem (CID 144731545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).