1-ethenyl-4-methylperoxybenzene

C9H10O2 — CID 21053359

IUPAC1-ethenyl-4-methylperoxybenzene
SMILESC=Cc1ccc(OOC)cc1
InChIInChI=1S/C9H10O2/c1-3-8-4-6-9(7-5-8)11-10-2/h3-7H,1H2,2H3
InChIKeySTZMHFLGXMHNKR-UHFFFAOYSA-N
MW150.18 g/mol
LogP2.27
Rot. Bonds3

About 1-ethenyl-4-methylperoxybenzene

1-ethenyl-4-methylperoxybenzene (PubChem CID 21053359) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-ethenyl-4-methylperoxybenzene.

Molecular Properties

Compound Name1-ethenyl-4-methylperoxybenzene
PubChem CID21053359
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name1-ethenyl-4-methylperoxybenzene
SMILESC=Cc1ccc(OOC)cc1
InChIInChI=1S/C9H10O2/c1-3-8-4-6-9(7-5-8)11-10-2/h3-7H,1H2,2H3
InChIKeySTZMHFLGXMHNKR-UHFFFAOYSA-N
XLogP2.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethenyl-4-methoxybenzene;2-methylbuta-1,3-diene
CID 21495831
1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 577531
1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 158836973
2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-methoxyphenyl)-1,3,5-triazine
CID 59439786
1-ethenyl-4-methoxybenzene;triazine
CID 174412273
1-ethenyl-4-methoxybenzene;3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione
CID 139092302
(4-ethenylphenyl)-bis(4-methoxyphenyl)methanol
CID 101342310
1-tert-butyl-4-ethenylbenzene
CID 15627
4-(4-ethenylphenoxy)butyl-dimethoxysilane
CID 123452170
1-(3-chloropropylperoxy)-4-ethenylbenzene
CID 20631980
1-(4-ethenylphenoxy)-3,5-dimethylbenzene
CID 141340670
1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene
CID 66919086

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-methylperoxybenzene?
The IUPAC name of 1-ethenyl-4-methylperoxybenzene (CID 21053359) is 1-ethenyl-4-methylperoxybenzene.
What is the SMILES notation for 1-ethenyl-4-methylperoxybenzene?
The canonical SMILES for 1-ethenyl-4-methylperoxybenzene is C=Cc1ccc(OOC)cc1.
What is the InChIKey of 1-ethenyl-4-methylperoxybenzene?
The InChIKey is STZMHFLGXMHNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-3-8-4-6-9(7-5-8)11-10-2/h3-7H,1H2,2H3.
What are the key properties of 1-ethenyl-4-methylperoxybenzene?
1-ethenyl-4-methylperoxybenzene has a molecular weight of 150.18 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-methylperoxybenzene is sourced from PubChem (CID 21053359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).