1-(benzyl-hydroperoxy-hydroxy-λ4-selanyl)-4-methoxybenzene

C14H16O4Se — CID 139265758

IUPAC1-(benzyl-hydroperoxy-hydroxy-λ4-selanyl)-4-methoxybenzene
SMILESCOc1ccc([Se](O)(Cc2ccccc2)OO)cc1
InChIInChI=1S/C14H16O4Se/c1-17-13-7-9-14(10-8-13)19(16,18-15)11-12-5-3-2-4-6-12/h2-10,15-16H,11H2,1H3
InChIKeyFBJKYUBSOZIHPO-UHFFFAOYSA-N
MW327.24 g/mol
LogP1.61
Rot. Bonds5

About 1-(benzyl-hydroperoxy-hydroxy-λ4-selanyl)-4-methoxybenzene

1-(benzyl-hydroperoxy-hydroxy-λ4-selanyl)-4-methoxybenzene (PubChem CID 139265758) has the molecular formula C14H16O4Se and a molecular weight of 327.24 g/mol. Its IUPAC name is 1-(benzyl-hydroperoxy-hydroxy-λ4-selanyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(benzyl-hydroperoxy-hydroxy-λ4-selanyl)-4-methoxybenzene
PubChem CID139265758
Molecular FormulaC14H16O4Se
Molecular Weight327.24 g/mol
Exact Mass328.02
IUPAC Name1-(benzyl-hydroperoxy-hydroxy-λ4-selanyl)-4-methoxybenzene
SMILESCOc1ccc([Se](O)(Cc2ccccc2)OO)cc1
InChIInChI=1S/C14H16O4Se/c1-17-13-7-9-14(10-8-13)19(16,18-15)11-12-5-3-2-4-6-12/h2-10,15-16H,11H2,1H3
InChIKeyFBJKYUBSOZIHPO-UHFFFAOYSA-N
XLogP1.61
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene
CID 70390972
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
O-(4-methoxyphenyl) benzylselanylmethaneselenoate
CID 102600172
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
anisole;hydrochloride
CID 158800007
CID 172685187
CID 172685187
anisole;trihydrofluoride
CID 174796385
anisole;cyanic acid
CID 174663500
anisole;guanidine
CID 172735542

Frequently Asked Questions

What is the IUPAC name of 1-(benzyl-hydroperoxy-hydroxy-λ4-selanyl)-4-methoxybenzene?
The IUPAC name of 1-(benzyl-hydroperoxy-hydroxy-λ4-selanyl)-4-methoxybenzene (CID 139265758) is 1-(benzyl-hydroperoxy-hydroxy-λ4-selanyl)-4-methoxybenzene.
What is the SMILES notation for 1-(benzyl-hydroperoxy-hydroxy-λ4-selanyl)-4-methoxybenzene?
The canonical SMILES for 1-(benzyl-hydroperoxy-hydroxy-λ4-selanyl)-4-methoxybenzene is COc1ccc([Se](O)(Cc2ccccc2)OO)cc1.
What is the InChIKey of 1-(benzyl-hydroperoxy-hydroxy-λ4-selanyl)-4-methoxybenzene?
The InChIKey is FBJKYUBSOZIHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4Se/c1-17-13-7-9-14(10-8-13)19(16,18-15)11-12-5-3-2-4-6-12/h2-10,15-16H,11H2,1H3.
What are the key properties of 1-(benzyl-hydroperoxy-hydroxy-λ4-selanyl)-4-methoxybenzene?
1-(benzyl-hydroperoxy-hydroxy-λ4-selanyl)-4-methoxybenzene has a molecular weight of 327.24 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzyl-hydroperoxy-hydroxy-λ4-selanyl)-4-methoxybenzene is sourced from PubChem (CID 139265758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).