2-(2,4-dimethylphenoxy)ethyl prop-2-enoate

C13H16O3 — CID 58160672

IUPAC2-(2,4-dimethylphenoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(C)cc1C
InChIInChI=1S/C13H16O3/c1-4-13(14)16-8-7-15-12-6-5-10(2)9-11(12)3/h4-6,9H,1,7-8H2,2-3H3
InChIKeyUTVNPANXVZZQIE-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.41
Rot. Bonds5

About 2-(2,4-dimethylphenoxy)ethyl prop-2-enoate

2-(2,4-dimethylphenoxy)ethyl prop-2-enoate (PubChem CID 58160672) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)ethyl prop-2-enoate
PubChem CID58160672
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-(2,4-dimethylphenoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(C)cc1C
InChIInChI=1S/C13H16O3/c1-4-13(14)16-8-7-15-12-6-5-10(2)9-11(12)3/h4-6,9H,1,7-8H2,2-3H3
InChIKeyUTVNPANXVZZQIE-UHFFFAOYSA-N
XLogP2.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-methylphenoxy)ethyl prop-2-enoate
CID 58160674
2-[2-methyl-4-[2-[3-methyl-4-(2-prop-2-enoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate
CID 59739112
3-[3-methyl-4-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate
CID 67394118
4-(4-amino-2-methylphenoxy)butyl prop-2-enoate;aniline;benzene-1,4-diamine
CID 142183864
2-(2-bromo-4-methylphenoxy)ethyl prop-2-enoate;(2-bromo-4-methylphenyl) prop-2-enoate;2-(2-chloro-4-methylphenoxy)ethyl prop-2-enoate;(2-chloro-4-methylphenyl) prop-2-enoate;2-(2,4-dimethylphenoxy)ethyl prop-2-enoate;(2,4-dimethylphenyl) prop-2-enoate;(2-fluoro-4-methylphenyl) prop-2-enoate;methane;(4-methylphenyl) prop-2-enoate
CID 159440070
(2,4-dimethylphenyl) 6-(4-prop-2-enoyloxybutoxy)naphthalene-2-carboxylate
CID 90050408
2,4-dimethyl-1-pent-4-enoxybenzene
CID 64763519
(2,4-dimethylphenyl) 4-(prop-2-enoyloxymethoxy)benzoate
CID 126651896
2-[3-(3-methylphenyl)phenoxy]ethyl prop-2-enoate
CID 70425725
2,4-dimethyl-1-prop-2-enoxybenzene
CID 3023179
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate
CID 147852586

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)ethyl prop-2-enoate?
The IUPAC name of 2-(2,4-dimethylphenoxy)ethyl prop-2-enoate (CID 58160672) is 2-(2,4-dimethylphenoxy)ethyl prop-2-enoate.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)ethyl prop-2-enoate?
The canonical SMILES for 2-(2,4-dimethylphenoxy)ethyl prop-2-enoate is C=CC(=O)OCCOc1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenoxy)ethyl prop-2-enoate?
The InChIKey is UTVNPANXVZZQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-4-13(14)16-8-7-15-12-6-5-10(2)9-11(12)3/h4-6,9H,1,7-8H2,2-3H3.
What are the key properties of 2-(2,4-dimethylphenoxy)ethyl prop-2-enoate?
2-(2,4-dimethylphenoxy)ethyl prop-2-enoate has a molecular weight of 220.27 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)ethyl prop-2-enoate is sourced from PubChem (CID 58160672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).