2-ethoxyethenyl 4-methoxybenzoate

C12H14O4 — CID 123217452

IUPAC2-ethoxyethenyl 4-methoxybenzoate
SMILESCCOC=COC(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H14O4/c1-3-15-8-9-16-12(13)10-4-6-11(14-2)7-5-10/h4-9H,3H2,1-2H3
InChIKeyLQNMQICMSWTJSU-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.36
Rot. Bonds5

About 2-ethoxyethenyl 4-methoxybenzoate

2-ethoxyethenyl 4-methoxybenzoate (PubChem CID 123217452) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-ethoxyethenyl 4-methoxybenzoate.

Molecular Properties

Compound Name2-ethoxyethenyl 4-methoxybenzoate
PubChem CID123217452
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name2-ethoxyethenyl 4-methoxybenzoate
SMILESCCOC=COC(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H14O4/c1-3-15-8-9-16-12(13)10-4-6-11(14-2)7-5-10/h4-9H,3H2,1-2H3
InChIKeyLQNMQICMSWTJSU-UHFFFAOYSA-N
XLogP2.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(Z)-3-methylbut-1-enyl] 4-methoxybenzoate
CID 135086590
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
(3-oxo-3-phenylprop-1-enyl) 4-methoxybenzoate
CID 2825584
undeca-1,9-dienyl 4-methoxybenzoate
CID 54553843
ethenyl 4-methoxybenzoate;propan-2-one
CID 70140612
(4-methoxyphenyl) 4-ethoxybenzoate
CID 23011327
2,2-diethoxy-1-(4-methoxyphenyl)ethanone
CID 10130946
formic acid;methyl 4-methoxybenzoate
CID 159779883
ethylamino 4-methoxybenzoate
CID 87829629
[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
CID 118103231
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
CID 154279201

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethenyl 4-methoxybenzoate?
The IUPAC name of 2-ethoxyethenyl 4-methoxybenzoate (CID 123217452) is 2-ethoxyethenyl 4-methoxybenzoate.
What is the SMILES notation for 2-ethoxyethenyl 4-methoxybenzoate?
The canonical SMILES for 2-ethoxyethenyl 4-methoxybenzoate is CCOC=COC(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-ethoxyethenyl 4-methoxybenzoate?
The InChIKey is LQNMQICMSWTJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-3-15-8-9-16-12(13)10-4-6-11(14-2)7-5-10/h4-9H,3H2,1-2H3.
What are the key properties of 2-ethoxyethenyl 4-methoxybenzoate?
2-ethoxyethenyl 4-methoxybenzoate has a molecular weight of 222.24 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethenyl 4-methoxybenzoate is sourced from PubChem (CID 123217452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).