(3-methyloxetan-3-yl)methyl 3-(4-ethoxyphenyl)prop-2-enoate

C16H20O4 — CID 76870391

IUPAC(3-methyloxetan-3-yl)methyl 3-(4-ethoxyphenyl)prop-2-enoate
SMILESCCOc1ccc(C=CC(=O)OCC2(C)COC2)cc1
InChIInChI=1S/C16H20O4/c1-3-19-14-7-4-13(5-8-14)6-9-15(17)20-12-16(2)10-18-11-16/h4-9H,3,10-12H2,1-2H3
InChIKeyJVIPXYHDOYMPMU-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.68
Rot. Bonds6

About (3-methyloxetan-3-yl)methyl 3-(4-ethoxyphenyl)prop-2-enoate

(3-methyloxetan-3-yl)methyl 3-(4-ethoxyphenyl)prop-2-enoate (PubChem CID 76870391) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is (3-methyloxetan-3-yl)methyl 3-(4-ethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(3-methyloxetan-3-yl)methyl 3-(4-ethoxyphenyl)prop-2-enoate
PubChem CID76870391
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name(3-methyloxetan-3-yl)methyl 3-(4-ethoxyphenyl)prop-2-enoate
SMILESCCOc1ccc(C=CC(=O)OCC2(C)COC2)cc1
InChIInChI=1S/C16H20O4/c1-3-19-14-7-4-13(5-8-14)6-9-15(17)20-12-16(2)10-18-11-16/h4-9H,3,10-12H2,1-2H3
InChIKeyJVIPXYHDOYMPMU-UHFFFAOYSA-N
XLogP2.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-methyloxetan-3-yl)methyl 3-(4-ethoxyphenyl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 13208556
prop-2-ynyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 14030026
but-3-ynyl 3-(4-ethoxyphenyl)prop-2-enoate
CID 76868723
(1E,6E)-1,7-bis(4-ethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 11143033
(3-methyloxetan-3-yl)methyl (E)-3-(5-bromothiophen-2-yl)prop-2-enoate
CID 75364182
6-prop-2-enoyloxyhexyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 134454514
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 8888348
tert-butyl (E)-3-(4-ethoxyphenyl)prop-2-eneperoxoate
CID 142376825
3-(4-ethoxyphenyl)prop-2-enoic acid;hydrochloride
CID 70257337
ethyl 4-[3-(4-ethoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate
CID 102603355
(3-methyloxetan-3-yl)methyl 3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate
CID 72684841
[2-(4-ethylanilino)-2-oxoethyl] 3-(4-ethoxyphenyl)prop-2-enoate
CID 71953242

Frequently Asked Questions

What is the IUPAC name of (3-methyloxetan-3-yl)methyl 3-(4-ethoxyphenyl)prop-2-enoate?
The IUPAC name of (3-methyloxetan-3-yl)methyl 3-(4-ethoxyphenyl)prop-2-enoate (CID 76870391) is (3-methyloxetan-3-yl)methyl 3-(4-ethoxyphenyl)prop-2-enoate.
What is the SMILES notation for (3-methyloxetan-3-yl)methyl 3-(4-ethoxyphenyl)prop-2-enoate?
The canonical SMILES for (3-methyloxetan-3-yl)methyl 3-(4-ethoxyphenyl)prop-2-enoate is CCOc1ccc(C=CC(=O)OCC2(C)COC2)cc1.
What is the InChIKey of (3-methyloxetan-3-yl)methyl 3-(4-ethoxyphenyl)prop-2-enoate?
The InChIKey is JVIPXYHDOYMPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-3-19-14-7-4-13(5-8-14)6-9-15(17)20-12-16(2)10-18-11-16/h4-9H,3,10-12H2,1-2H3.
What are the key properties of (3-methyloxetan-3-yl)methyl 3-(4-ethoxyphenyl)prop-2-enoate?
(3-methyloxetan-3-yl)methyl 3-(4-ethoxyphenyl)prop-2-enoate has a molecular weight of 276.33 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxetan-3-yl)methyl 3-(4-ethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 76870391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).