2-methoxyethyl 4-ethenylbenzoate

C12H14O3 — CID 58960727

IUPAC2-methoxyethyl 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OCCOC)cc1
InChIInChI=1S/C12H14O3/c1-3-10-4-6-11(7-5-10)12(13)15-9-8-14-2/h3-7H,1,8-9H2,2H3
InChIKeySIMRKOBAXHCTAR-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.13
Rot. Bonds5

About 2-methoxyethyl 4-ethenylbenzoate

2-methoxyethyl 4-ethenylbenzoate (PubChem CID 58960727) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-methoxyethyl 4-ethenylbenzoate.

Molecular Properties

Compound Name2-methoxyethyl 4-ethenylbenzoate
PubChem CID58960727
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-methoxyethyl 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OCCOC)cc1
InChIInChI=1S/C12H14O3/c1-3-10-4-6-11(7-5-10)12(13)15-9-8-14-2/h3-7H,1,8-9H2,2H3
InChIKeySIMRKOBAXHCTAR-UHFFFAOYSA-N
XLogP2.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethoxymethyl 4-ethenylbenzoate
CID 138732599
2-prop-2-enoxyethyl 4-ethenylbenzoate
CID 58769638
hexyl 4-ethenylbenzoate
CID 12541506
5-bromopentyl 4-ethenylbenzoate
CID 54019940
4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730612
[(4R)-4-(4-ethenylbenzoyl)oxypentyl] 4-ethenylbenzoate
CID 101015957
ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate
CID 102095927
4-(2-chloroethoxy)butyl 4-ethenylbenzoate
CID 57236268
2-[4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoyl]oxyethyl 4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoate
CID 89417418
[2-(4-methylphenyl)-2-oxoethyl] 4-ethenylbenzoate
CID 139830728
ethyl 4-[2-(4-ethenylphenyl)ethynyl]benzoate
CID 132532578
[2-[2-(4-ethenylbenzoyl)oxyethyl-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium
CID 87546881

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-ethenylbenzoate?
The IUPAC name of 2-methoxyethyl 4-ethenylbenzoate (CID 58960727) is 2-methoxyethyl 4-ethenylbenzoate.
What is the SMILES notation for 2-methoxyethyl 4-ethenylbenzoate?
The canonical SMILES for 2-methoxyethyl 4-ethenylbenzoate is C=Cc1ccc(C(=O)OCCOC)cc1.
What is the InChIKey of 2-methoxyethyl 4-ethenylbenzoate?
The InChIKey is SIMRKOBAXHCTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-3-10-4-6-11(7-5-10)12(13)15-9-8-14-2/h3-7H,1,8-9H2,2H3.
What are the key properties of 2-methoxyethyl 4-ethenylbenzoate?
2-methoxyethyl 4-ethenylbenzoate has a molecular weight of 206.24 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-ethenylbenzoate is sourced from PubChem (CID 58960727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).