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

C14H16O6 — CID 144731544

IUPAC1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene;methanol
SMILESCO.COc1ccc(OOc2ccc(OO)cc2)cc1
InChIInChI=1S/C13H12O5.CH4O/c1-15-10-2-6-12(7-3-10)17-18-13-8-4-11(16-14)5-9-13;1-2/h2-9,14H,1H3;2H,1H3
InChIKeyQKPJTNQYZJGDNL-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.53
Rot. Bonds5

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

1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene;methanol (PubChem CID 144731544) has the molecular formula C14H16O6 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene;methanol.

Molecular Properties

Compound Name1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene;methanol
PubChem CID144731544
Molecular FormulaC14H16O6
Molecular Weight280.28 g/mol
Exact Mass280.09
IUPAC Name1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene;methanol
SMILESCO.COc1ccc(OOc2ccc(OO)cc2)cc1
InChIInChI=1S/C13H12O5.CH4O/c1-15-10-2-6-12(7-3-10)17-18-13-8-4-11(16-14)5-9-13;1-2/h2-9,14H,1H3;2H,1H3
InChIKeyQKPJTNQYZJGDNL-UHFFFAOYSA-N
XLogP2.53
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
CID 144731545
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
bis(dichlororhenium);methanol;bis(tris(4-methoxyphenyl)phosphanium)
CID 6397476
1,3-bis(4-methoxyphenyl)urea
CID 139045428
trihydroxy-(4-methoxyphenyl)-λ4-sulfane
CID 91517982

Frequently Asked Questions

What is the IUPAC name of 1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene;methanol?
The IUPAC name of 1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene;methanol (CID 144731544) is 1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene;methanol.
What is the SMILES notation for 1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene;methanol?
The canonical SMILES for 1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene;methanol is CO.COc1ccc(OOc2ccc(OO)cc2)cc1.
What is the InChIKey of 1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene;methanol?
The InChIKey is QKPJTNQYZJGDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O5.CH4O/c1-15-10-2-6-12(7-3-10)17-18-13-8-4-11(16-14)5-9-13;1-2/h2-9,14H,1H3;2H,1H3.
What are the key properties of 1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene;methanol?
1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene;methanol has a molecular weight of 280.28 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene;methanol is sourced from PubChem (CID 144731544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).