(2-ethylphenyl)methyl 2-methylprop-2-enoate

C13H16O2 — CID 22748890

IUPAC(2-ethylphenyl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1ccccc1CC
InChIInChI=1S/C13H16O2/c1-4-11-7-5-6-8-12(11)9-15-13(14)10(2)3/h5-8H,2,4,9H2,1,3H3
InChIKeyDYYOQLVTIGMODN-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.87
Rot. Bonds4

About (2-ethylphenyl)methyl 2-methylprop-2-enoate

(2-ethylphenyl)methyl 2-methylprop-2-enoate (PubChem CID 22748890) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2-ethylphenyl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-ethylphenyl)methyl 2-methylprop-2-enoate
PubChem CID22748890
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2-ethylphenyl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1ccccc1CC
InChIInChI=1S/C13H16O2/c1-4-11-7-5-6-8-12(11)9-15-13(14)10(2)3/h5-8H,2,4,9H2,1,3H3
InChIKeyDYYOQLVTIGMODN-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate
CID 66870935
CID 67159219
CID 67159219
benzyl 2-methylprop-2-enoate;butane
CID 174907722
3-[2-(2-methylprop-2-enoyloxymethyl)phenoxy]propyl 2-methylprop-2-enoate
CID 118333825
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
benzyl 2-methyl(113C)prop-2-enoate;benzyl 2-oxo(113C)propanoate
CID 161249019
[2-(oxetan-2-yl)phenyl]methyl 2-methylprop-2-enoate
CID 140573323
9H-fluoren-1-ylmethyl 2-methylprop-2-enoate
CID 66742349
bis[(2-ethylphenyl)methyl] hexanedioate
CID 69430210
(6-hydroxynaphthalen-1-yl)methyl 2-methylprop-2-enoate
CID 126550127
2-(2-iodophenyl)ethyl 2-methylprop-2-enoate;hydroiodide
CID 172855401
anthracene;ethyl 2-methylprop-2-enoate
CID 126715245

Frequently Asked Questions

What is the IUPAC name of (2-ethylphenyl)methyl 2-methylprop-2-enoate?
The IUPAC name of (2-ethylphenyl)methyl 2-methylprop-2-enoate (CID 22748890) is (2-ethylphenyl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (2-ethylphenyl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (2-ethylphenyl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1ccccc1CC.
What is the InChIKey of (2-ethylphenyl)methyl 2-methylprop-2-enoate?
The InChIKey is DYYOQLVTIGMODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-4-11-7-5-6-8-12(11)9-15-13(14)10(2)3/h5-8H,2,4,9H2,1,3H3.
What are the key properties of (2-ethylphenyl)methyl 2-methylprop-2-enoate?
(2-ethylphenyl)methyl 2-methylprop-2-enoate has a molecular weight of 204.27 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenyl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 22748890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).