2-methoxyethoxymethyl 4-ethenylbenzoate

C13H16O4 — CID 138732599

IUPAC2-methoxyethoxymethyl 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OCOCCOC)cc1
InChIInChI=1S/C13H16O4/c1-3-11-4-6-12(7-5-11)13(14)17-10-16-9-8-15-2/h3-7H,1,8-10H2,2H3
InChIKeyOGESJEKROJBJFZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.11
Rot. Bonds7

About 2-methoxyethoxymethyl 4-ethenylbenzoate

2-methoxyethoxymethyl 4-ethenylbenzoate (PubChem CID 138732599) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-methoxyethoxymethyl 4-ethenylbenzoate.

Molecular Properties

Compound Name2-methoxyethoxymethyl 4-ethenylbenzoate
PubChem CID138732599
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name2-methoxyethoxymethyl 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OCOCCOC)cc1
InChIInChI=1S/C13H16O4/c1-3-11-4-6-12(7-5-11)13(14)17-10-16-9-8-15-2/h3-7H,1,8-10H2,2H3
InChIKeyOGESJEKROJBJFZ-UHFFFAOYSA-N
XLogP2.11
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxyethoxymethyl 4-ethenylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxyethyl 4-ethenylbenzoate
CID 58960727
2-methoxyethoxymethyl benzoate
CID 11275823
2-prop-2-enoxyethyl 4-ethenylbenzoate
CID 58769638
hexyl 4-ethenylbenzoate
CID 12541506
5-bromopentyl 4-ethenylbenzoate
CID 54019940
ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate
CID 102095927
4-(2-chloroethoxy)butyl 4-ethenylbenzoate
CID 57236268
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-formylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-formylbenzoate
CID 57408109
2-[2-(4-formylbenzoyl)oxyethoxy]ethyl 4-formylbenzoate
CID 130308397
ethyl 4-[2-(4-ethenylphenyl)ethynyl]benzoate
CID 132532578
[2-(4-methylphenyl)-2-oxoethyl] 4-ethenylbenzoate
CID 139830728
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 158057497

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethoxymethyl 4-ethenylbenzoate?
The IUPAC name of 2-methoxyethoxymethyl 4-ethenylbenzoate (CID 138732599) is 2-methoxyethoxymethyl 4-ethenylbenzoate.
What is the SMILES notation for 2-methoxyethoxymethyl 4-ethenylbenzoate?
The canonical SMILES for 2-methoxyethoxymethyl 4-ethenylbenzoate is C=Cc1ccc(C(=O)OCOCCOC)cc1.
What is the InChIKey of 2-methoxyethoxymethyl 4-ethenylbenzoate?
The InChIKey is OGESJEKROJBJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-3-11-4-6-12(7-5-11)13(14)17-10-16-9-8-15-2/h3-7H,1,8-10H2,2H3.
What are the key properties of 2-methoxyethoxymethyl 4-ethenylbenzoate?
2-methoxyethoxymethyl 4-ethenylbenzoate has a molecular weight of 236.27 g/mol, XLogP of 2.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethoxymethyl 4-ethenylbenzoate is sourced from PubChem (CID 138732599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).