[2-phenyl-3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate

C17H18O5 — CID 154021206

IUPAC[2-phenyl-3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1(COC(=O)C=C)COC1c1ccccc1
InChIInChI=1S/C17H18O5/c1-3-14(18)20-10-17(11-21-15(19)4-2)12-22-16(17)13-8-6-5-7-9-13/h3-9,16H,1-2,10-12H2
InChIKeyDNFPAUXLGAACIM-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.20
Rot. Bonds7

About [2-phenyl-3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate

[2-phenyl-3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate (PubChem CID 154021206) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is [2-phenyl-3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate.

Molecular Properties

Compound Name[2-phenyl-3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate
PubChem CID154021206
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name[2-phenyl-3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1(COC(=O)C=C)COC1c1ccccc1
InChIInChI=1S/C17H18O5/c1-3-14(18)20-10-17(11-21-15(19)4-2)12-22-16(17)13-8-6-5-7-9-13/h3-9,16H,1-2,10-12H2
InChIKeyDNFPAUXLGAACIM-UHFFFAOYSA-N
XLogP2.20
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-phenyloxetan-2-yl)ethyl prop-2-enoate
CID 141157512
(5-ethyl-2-phenyl-1,3,2-dioxaborinan-5-yl)methyl prop-2-enoate
CID 153107264
2-(4-phenylcyclohexyl)oxyethyl prop-2-enoate
CID 171717408
[3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate
CID 172769604
[2-hydroxy-1,3,3-tris(prop-2-enoyloxymethyl)cyclohexyl]methyl prop-2-enoate
CID 68606821
[4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methyl prop-2-enoate
CID 102392386
(5-methyl-2-phenyl-1,3-dioxan-5-yl)methyl 2-methylprop-2-enoate
CID 88985259
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
(4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate
CID 70213115
[(1R,2S,3R)-1,2-dimethyl-3-[(1R)-1-phenylethyl]cyclopropyl]methyl prop-2-enoate
CID 144950296
[3-(phenylsulfanylmethylsulfanylmethyl)-1-adamantyl]methyl prop-2-enoate
CID 87739429
[(2R,3R)-2-phenyl-3-propan-2-yloxetan-3-yl] acetate
CID 10944376

Frequently Asked Questions

What is the IUPAC name of [2-phenyl-3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate?
The IUPAC name of [2-phenyl-3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate (CID 154021206) is [2-phenyl-3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate.
What is the SMILES notation for [2-phenyl-3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate?
The canonical SMILES for [2-phenyl-3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate is C=CC(=O)OCC1(COC(=O)C=C)COC1c1ccccc1.
What is the InChIKey of [2-phenyl-3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate?
The InChIKey is DNFPAUXLGAACIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-3-14(18)20-10-17(11-21-15(19)4-2)12-22-16(17)13-8-6-5-7-9-13/h3-9,16H,1-2,10-12H2.
What are the key properties of [2-phenyl-3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate?
[2-phenyl-3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate has a molecular weight of 302.33 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phenyl-3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate is sourced from PubChem (CID 154021206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).