2-(4-phenyloxetan-2-yl)ethyl prop-2-enoate

C14H16O3 — CID 141157512

IUPAC2-(4-phenyloxetan-2-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1CC(c2ccccc2)O1
InChIInChI=1S/C14H16O3/c1-2-14(15)16-9-8-12-10-13(17-12)11-6-4-3-5-7-11/h2-7,12-13H,1,8-10H2
InChIKeyJTRAJQDTNUYMLF-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.64
Rot. Bonds5

About 2-(4-phenyloxetan-2-yl)ethyl prop-2-enoate

2-(4-phenyloxetan-2-yl)ethyl prop-2-enoate (PubChem CID 141157512) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(4-phenyloxetan-2-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(4-phenyloxetan-2-yl)ethyl prop-2-enoate
PubChem CID141157512
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name2-(4-phenyloxetan-2-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1CC(c2ccccc2)O1
InChIInChI=1S/C14H16O3/c1-2-14(15)16-9-8-12-10-13(17-12)11-6-4-3-5-7-11/h2-7,12-13H,1,8-10H2
InChIKeyJTRAJQDTNUYMLF-UHFFFAOYSA-N
XLogP2.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methyloxetan-2-yl)ethyl prop-2-enoate
CID 121410457
2-[4-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]ethyl prop-2-enoate
CID 141157526
2-(4-phenylcyclohexyl)oxyethyl prop-2-enoate
CID 171717408
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
[(Z)-3-chloro-4-phenylbut-3-enyl] prop-2-enoate
CID 141217018
[2-phenyl-3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate
CID 154021206
2-(oxan-2-yl)ethyl prop-2-enoate
CID 141407078
(3,5-diphenyl-2,8,9-trioxa-5-azonia-1-silabicyclo[3.3.3]undecan-1-yl)methyl prop-2-enoate
CID 90944710
2-[diphenyl(2-prop-2-enoyloxyethyl)silyl]ethyl prop-2-enoate
CID 155652880
2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate
CID 53424506
6-[6-[4-(6-prop-2-enoyloxyhexoxy)phenyl]oxan-3-yl]hexyl prop-2-enoate
CID 145217211
2-(2-ethylcyclopropyl)ethyl prop-2-enoate
CID 59721630

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyloxetan-2-yl)ethyl prop-2-enoate?
The IUPAC name of 2-(4-phenyloxetan-2-yl)ethyl prop-2-enoate (CID 141157512) is 2-(4-phenyloxetan-2-yl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(4-phenyloxetan-2-yl)ethyl prop-2-enoate?
The canonical SMILES for 2-(4-phenyloxetan-2-yl)ethyl prop-2-enoate is C=CC(=O)OCCC1CC(c2ccccc2)O1.
What is the InChIKey of 2-(4-phenyloxetan-2-yl)ethyl prop-2-enoate?
The InChIKey is JTRAJQDTNUYMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-2-14(15)16-9-8-12-10-13(17-12)11-6-4-3-5-7-11/h2-7,12-13H,1,8-10H2.
What are the key properties of 2-(4-phenyloxetan-2-yl)ethyl prop-2-enoate?
2-(4-phenyloxetan-2-yl)ethyl prop-2-enoate has a molecular weight of 232.28 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyloxetan-2-yl)ethyl prop-2-enoate is sourced from PubChem (CID 141157512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).