1-ethoxyethyl 4-ethenylbenzoate

C13H16O3 — CID 23124798

IUPAC1-ethoxyethyl 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OC(C)OCC)cc1
InChIInChI=1S/C13H16O3/c1-4-11-6-8-12(9-7-11)13(14)16-10(3)15-5-2/h4,6-10H,1,5H2,2-3H3
InChIKeyDAFJGCMGMBPINO-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.87
Rot. Bonds5

About 1-ethoxyethyl 4-ethenylbenzoate

1-ethoxyethyl 4-ethenylbenzoate (PubChem CID 23124798) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-ethoxyethyl 4-ethenylbenzoate.

Molecular Properties

Compound Name1-ethoxyethyl 4-ethenylbenzoate
PubChem CID23124798
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name1-ethoxyethyl 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OC(C)OCC)cc1
InChIInChI=1S/C13H16O3/c1-4-11-6-8-12(9-7-11)13(14)16-10(3)15-5-2/h4,6-10H,1,5H2,2-3H3
InChIKeyDAFJGCMGMBPINO-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

but-3-en-2-yl 4-ethenylbenzoate
CID 171922207
[(1S,4S)-4-(4-ethenylbenzoyl)oxy-1,4-dihydroxybutyl] 4-ethenylbenzoate
CID 101349126
1-[1-(1-ethoxyethoxy)ethoxy]ethyl benzoate
CID 175094889
[(4R)-4-(4-ethenylbenzoyl)oxypentyl] 4-ethenylbenzoate
CID 101015957
1,2,2-trifluoroethyl 4-ethenylbenzoate
CID 69022165
1-butoxyethyl 4-prop-2-enoyloxybenzoate
CID 150490967
ethyl 4-[2-(4-ethenylphenyl)ethynyl]benzoate
CID 132532578
1-ethoxyethyl 3-hydroxy-5-prop-2-enoyloxybenzoate
CID 150298337
bis[1-(1-ethoxyethoxy)ethyl] benzene-1,3-dicarboxylate
CID 121376026
2-methoxyethyl 4-ethenylbenzoate
CID 58960727
ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate
CID 102095927
hexyl 4-ethenylbenzoate
CID 12541506

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethyl 4-ethenylbenzoate?
The IUPAC name of 1-ethoxyethyl 4-ethenylbenzoate (CID 23124798) is 1-ethoxyethyl 4-ethenylbenzoate.
What is the SMILES notation for 1-ethoxyethyl 4-ethenylbenzoate?
The canonical SMILES for 1-ethoxyethyl 4-ethenylbenzoate is C=Cc1ccc(C(=O)OC(C)OCC)cc1.
What is the InChIKey of 1-ethoxyethyl 4-ethenylbenzoate?
The InChIKey is DAFJGCMGMBPINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-4-11-6-8-12(9-7-11)13(14)16-10(3)15-5-2/h4,6-10H,1,5H2,2-3H3.
What are the key properties of 1-ethoxyethyl 4-ethenylbenzoate?
1-ethoxyethyl 4-ethenylbenzoate has a molecular weight of 220.27 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethyl 4-ethenylbenzoate is sourced from PubChem (CID 23124798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).