prop-2-enylperoxybenzene

C9H10O2 — CID 19986970

IUPACprop-2-enylperoxybenzene
SMILESC=CCOOc1ccccc1
InChIInChI=1S/C9H10O2/c1-2-8-10-11-9-6-4-3-5-7-9/h2-7H,1,8H2
InChIKeyYFYBTGQCWDQEQF-UHFFFAOYSA-N
MW150.18 g/mol
LogP2.18
Rot. Bonds4

About prop-2-enylperoxybenzene

prop-2-enylperoxybenzene (PubChem CID 19986970) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is prop-2-enylperoxybenzene.

Molecular Properties

Compound Nameprop-2-enylperoxybenzene
PubChem CID19986970
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Nameprop-2-enylperoxybenzene
SMILESC=CCOOc1ccccc1
InChIInChI=1S/C9H10O2/c1-2-8-10-11-9-6-4-3-5-7-9/h2-7H,1,8H2
InChIKeyYFYBTGQCWDQEQF-UHFFFAOYSA-N
XLogP2.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enylperoxybenzene?
The IUPAC name of prop-2-enylperoxybenzene (CID 19986970) is prop-2-enylperoxybenzene.
What is the SMILES notation for prop-2-enylperoxybenzene?
The canonical SMILES for prop-2-enylperoxybenzene is C=CCOOc1ccccc1.
What is the InChIKey of prop-2-enylperoxybenzene?
The InChIKey is YFYBTGQCWDQEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-2-8-10-11-9-6-4-3-5-7-9/h2-7H,1,8H2.
What are the key properties of prop-2-enylperoxybenzene?
prop-2-enylperoxybenzene has a molecular weight of 150.18 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enylperoxybenzene is sourced from PubChem (CID 19986970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).