propyl 2-(4-ethenylphenoxy)acetate

C13H16O3 — CID 23504150

IUPACpropyl 2-(4-ethenylphenoxy)acetate
SMILESC=Cc1ccc(OCC(=O)OCCC)cc1
InChIInChI=1S/C13H16O3/c1-3-9-15-13(14)10-16-12-7-5-11(4-2)6-8-12/h4-8H,2-3,9-10H2,1H3
InChIKeyBZQIONLZHBHCPI-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.66
Rot. Bonds6

About propyl 2-(4-ethenylphenoxy)acetate

propyl 2-(4-ethenylphenoxy)acetate (PubChem CID 23504150) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is propyl 2-(4-ethenylphenoxy)acetate.

Molecular Properties

Compound Namepropyl 2-(4-ethenylphenoxy)acetate
PubChem CID23504150
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Namepropyl 2-(4-ethenylphenoxy)acetate
SMILESC=Cc1ccc(OCC(=O)OCCC)cc1
InChIInChI=1S/C13H16O3/c1-3-9-15-13(14)10-16-12-7-5-11(4-2)6-8-12/h4-8H,2-3,9-10H2,1H3
InChIKeyBZQIONLZHBHCPI-UHFFFAOYSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 2-(4-formylphenoxy)acetate
CID 17245126
propyl 2-(4-ethylphenoxy)acetate
CID 78907907
3-methylbut-2-enyl 2-(4-ethenylphenoxy)acetate
CID 19369048
propyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]acetate
CID 14856730
propyl 2-[4-[4-(2-oxo-2-propoxyethoxy)phenyl]sulfonylphenoxy]acetate
CID 4149665
tert-butyl 2-(4-ethenylphenoxy)acetate
CID 18762166
propyl 2-(4-tributylstannylphenoxy)acetate
CID 22503207
1-ethenyl-4-undecoxybenzene
CID 174770051
1-ethenyl-4-henicosoxybenzene
CID 174769675
ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate
CID 102095927
2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate
CID 90306782
butyl 2-[4-(hydroxymethyl)phenoxy]acetate
CID 54941444

Frequently Asked Questions

What is the IUPAC name of propyl 2-(4-ethenylphenoxy)acetate?
The IUPAC name of propyl 2-(4-ethenylphenoxy)acetate (CID 23504150) is propyl 2-(4-ethenylphenoxy)acetate.
What is the SMILES notation for propyl 2-(4-ethenylphenoxy)acetate?
The canonical SMILES for propyl 2-(4-ethenylphenoxy)acetate is C=Cc1ccc(OCC(=O)OCCC)cc1.
What is the InChIKey of propyl 2-(4-ethenylphenoxy)acetate?
The InChIKey is BZQIONLZHBHCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-3-9-15-13(14)10-16-12-7-5-11(4-2)6-8-12/h4-8H,2-3,9-10H2,1H3.
What are the key properties of propyl 2-(4-ethenylphenoxy)acetate?
propyl 2-(4-ethenylphenoxy)acetate has a molecular weight of 220.27 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(4-ethenylphenoxy)acetate is sourced from PubChem (CID 23504150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).