[4-[(3-ethyloxetan-3-yl)methoxy]phenyl] 2-methylprop-2-enoate

C16H20O4 — CID 58862986

IUPAC[4-[(3-ethyloxetan-3-yl)methoxy]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(OCC2(CC)COC2)cc1
InChIInChI=1S/C16H20O4/c1-4-16(9-18-10-16)11-19-13-5-7-14(8-6-13)20-15(17)12(2)3/h5-8H,2,4,9-11H2,1,3H3
InChIKeyNCVIIPQGNCYDSV-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.97
Rot. Bonds6

About [4-[(3-ethyloxetan-3-yl)methoxy]phenyl] 2-methylprop-2-enoate

[4-[(3-ethyloxetan-3-yl)methoxy]phenyl] 2-methylprop-2-enoate (PubChem CID 58862986) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is [4-[(3-ethyloxetan-3-yl)methoxy]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[(3-ethyloxetan-3-yl)methoxy]phenyl] 2-methylprop-2-enoate
PubChem CID58862986
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name[4-[(3-ethyloxetan-3-yl)methoxy]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(OCC2(CC)COC2)cc1
InChIInChI=1S/C16H20O4/c1-4-16(9-18-10-16)11-19-13-5-7-14(8-6-13)20-15(17)12(2)3/h5-8H,2,4,9-11H2,1,3H3
InChIKeyNCVIIPQGNCYDSV-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-ethoxyphenyl) 2-methylprop-2-enoate
CID 54374861
[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-phenylmethanone
CID 90438012
[4-(trifluoromethoxy)phenyl] 4-[(3-ethyloxetan-3-yl)methoxy]benzoate
CID 59767520
3-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]propanoic acid
CID 59767606
3-[[4-[1,1-bis[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-3-ethyloxetane
CID 59386218
2-[4-[2-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]acetyl]oxyphenoxy]ethyl prop-2-enoate
CID 58922054
1-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]pyrrole-2,5-dione
CID 71423852
[4-[4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxy]benzoyl]oxyphenyl] 4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxy]benzoate
CID 102214597
2,5-bis[[4-[(3-ethyloxetan-3-yl)methoxy]benzoyl]oxy]benzoic acid
CID 59702732
4-[8-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenoxy]octoxy]phenol
CID 59711338
[4-[2-[chloro(dimethyl)silyl]butoxy]phenyl] 2-methylprop-2-enoate
CID 171535419
1-[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]phenyl]ethanone
CID 59318851

Frequently Asked Questions

What is the IUPAC name of [4-[(3-ethyloxetan-3-yl)methoxy]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[(3-ethyloxetan-3-yl)methoxy]phenyl] 2-methylprop-2-enoate (CID 58862986) is [4-[(3-ethyloxetan-3-yl)methoxy]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[(3-ethyloxetan-3-yl)methoxy]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[(3-ethyloxetan-3-yl)methoxy]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(OCC2(CC)COC2)cc1.
What is the InChIKey of [4-[(3-ethyloxetan-3-yl)methoxy]phenyl] 2-methylprop-2-enoate?
The InChIKey is NCVIIPQGNCYDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-4-16(9-18-10-16)11-19-13-5-7-14(8-6-13)20-15(17)12(2)3/h5-8H,2,4,9-11H2,1,3H3.
What are the key properties of [4-[(3-ethyloxetan-3-yl)methoxy]phenyl] 2-methylprop-2-enoate?
[4-[(3-ethyloxetan-3-yl)methoxy]phenyl] 2-methylprop-2-enoate has a molecular weight of 276.33 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-ethyloxetan-3-yl)methoxy]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 58862986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).