(4-ethoxyphenyl) 2-methylprop-2-enoate

C12H14O3 — CID 54374861

IUPAC(4-ethoxyphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(OCC)cc1
InChIInChI=1S/C12H14O3/c1-4-14-10-5-7-11(8-6-10)15-12(13)9(2)3/h5-8H,2,4H2,1,3H3
InChIKeyUVTWXUICGPPPFP-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.57
Rot. Bonds4

About (4-ethoxyphenyl) 2-methylprop-2-enoate

(4-ethoxyphenyl) 2-methylprop-2-enoate (PubChem CID 54374861) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (4-ethoxyphenyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4-ethoxyphenyl) 2-methylprop-2-enoate
PubChem CID54374861
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(4-ethoxyphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(OCC)cc1
InChIInChI=1S/C12H14O3/c1-4-14-10-5-7-11(8-6-10)15-12(13)9(2)3/h5-8H,2,4H2,1,3H3
InChIKeyUVTWXUICGPPPFP-UHFFFAOYSA-N
XLogP2.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]methyl]phenyl] 2-methylprop-2-enoate
CID 155241279
[4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate
CID 18459584
(4-ethoxyphenyl) 2-methylpent-2-enoate
CID 175299666
ethoxybenzene;ethyl 2-methylprop-2-enoate
CID 175299667
[4-[4-(2-methylprop-2-enoyloxy)benzoyl]phenyl] 2-methylprop-2-enoate
CID 86688842
2-ethoxy-4-(2-methylprop-2-enoyloxy)benzoic acid;hydrochloride
CID 69497171
[3-ethoxy-4-[2-[2-ethoxy-4-(2-methylprop-2-enoyloxy)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enoate
CID 24821962
[4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate
CID 169009058
[4-bis[4-(2-methylprop-2-enoyloxy)phenyl]stibanylphenyl] 2-methylprop-2-enoate
CID 172846034
[4-[(3-ethyloxetan-3-yl)methoxy]phenyl] 2-methylprop-2-enoate
CID 58862986
[4-[2-[chloro(dimethyl)silyl]butoxy]phenyl] 2-methylprop-2-enoate
CID 171535419
(4-carbamoylphenyl) 2-methylprop-2-enoate
CID 53440858

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl) 2-methylprop-2-enoate?
The IUPAC name of (4-ethoxyphenyl) 2-methylprop-2-enoate (CID 54374861) is (4-ethoxyphenyl) 2-methylprop-2-enoate.
What is the SMILES notation for (4-ethoxyphenyl) 2-methylprop-2-enoate?
The canonical SMILES for (4-ethoxyphenyl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(OCC)cc1.
What is the InChIKey of (4-ethoxyphenyl) 2-methylprop-2-enoate?
The InChIKey is UVTWXUICGPPPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-4-14-10-5-7-11(8-6-10)15-12(13)9(2)3/h5-8H,2,4H2,1,3H3.
What are the key properties of (4-ethoxyphenyl) 2-methylprop-2-enoate?
(4-ethoxyphenyl) 2-methylprop-2-enoate has a molecular weight of 206.24 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl) 2-methylprop-2-enoate is sourced from PubChem (CID 54374861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).