1-[(4-ethenylphenyl)methylperoxy]propan-2-ol

C12H16O3 — CID 141437530

IUPAC1-[(4-ethenylphenyl)methylperoxy]propan-2-ol
SMILESC=Cc1ccc(COOCC(C)O)cc1
InChIInChI=1S/C12H16O3/c1-3-11-4-6-12(7-5-11)9-15-14-8-10(2)13/h3-7,10,13H,1,8-9H2,2H3
InChIKeyNMYKNSYVSDFOSD-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.16
Rot. Bonds6

About 1-[(4-ethenylphenyl)methylperoxy]propan-2-ol

1-[(4-ethenylphenyl)methylperoxy]propan-2-ol (PubChem CID 141437530) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[(4-ethenylphenyl)methylperoxy]propan-2-ol.

Molecular Properties

Compound Name1-[(4-ethenylphenyl)methylperoxy]propan-2-ol
PubChem CID141437530
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-[(4-ethenylphenyl)methylperoxy]propan-2-ol
SMILESC=Cc1ccc(COOCC(C)O)cc1
InChIInChI=1S/C12H16O3/c1-3-11-4-6-12(7-5-11)9-15-14-8-10(2)13/h3-7,10,13H,1,8-9H2,2H3
InChIKeyNMYKNSYVSDFOSD-UHFFFAOYSA-N
XLogP2.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-ethenylphenyl)methoxy]propan-1-ol
CID 21035602
1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 10550369
1-ethenyl-4-(methylperoxymethyl)benzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 89264123
1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride
CID 159433519
4-[1-(4-ethenylphenoxy)ethoxymethyl]phenol
CID 89096007
1-ethenyl-4-[4-(methoxymethyl)phenyl]benzene
CID 22186395
1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene
CID 123157384
4-ethenylphenol;propan-2-ol
CID 159910746
1-ethenyl-4-(2-methylbut-2-enyl)benzene
CID 139941573
bis(1-ethenyl-4-(methanidyloxymethyl)benzene);rutherfordium
CID 162713080
(4-ethenylphenyl)methoxy-hydroxy-dimethoxysilane
CID 142669259
(4-ethenylphenyl)methyl 2,3,3-trimethyl-2-propan-2-ylbutanoate
CID 89207567

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethenylphenyl)methylperoxy]propan-2-ol?
The IUPAC name of 1-[(4-ethenylphenyl)methylperoxy]propan-2-ol (CID 141437530) is 1-[(4-ethenylphenyl)methylperoxy]propan-2-ol.
What is the SMILES notation for 1-[(4-ethenylphenyl)methylperoxy]propan-2-ol?
The canonical SMILES for 1-[(4-ethenylphenyl)methylperoxy]propan-2-ol is C=Cc1ccc(COOCC(C)O)cc1.
What is the InChIKey of 1-[(4-ethenylphenyl)methylperoxy]propan-2-ol?
The InChIKey is NMYKNSYVSDFOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-11-4-6-12(7-5-11)9-15-14-8-10(2)13/h3-7,10,13H,1,8-9H2,2H3.
What are the key properties of 1-[(4-ethenylphenyl)methylperoxy]propan-2-ol?
1-[(4-ethenylphenyl)methylperoxy]propan-2-ol has a molecular weight of 208.26 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethenylphenyl)methylperoxy]propan-2-ol is sourced from PubChem (CID 141437530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).