(3-ethenyl-5-propanoyloxyphenyl) propanoate

C14H16O4 — CID 21433030

IUPAC(3-ethenyl-5-propanoyloxyphenyl) propanoate
SMILESC=Cc1cc(OC(=O)CC)cc(OC(=O)CC)c1
InChIInChI=1S/C14H16O4/c1-4-10-7-11(17-13(15)5-2)9-12(8-10)18-14(16)6-3/h4,7-9H,1,5-6H2,2-3H3
InChIKeyRQIZJANQYPSRIK-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.96
Rot. Bonds5

About (3-ethenyl-5-propanoyloxyphenyl) propanoate

(3-ethenyl-5-propanoyloxyphenyl) propanoate (PubChem CID 21433030) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is (3-ethenyl-5-propanoyloxyphenyl) propanoate.

Molecular Properties

Compound Name(3-ethenyl-5-propanoyloxyphenyl) propanoate
PubChem CID21433030
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name(3-ethenyl-5-propanoyloxyphenyl) propanoate
SMILESC=Cc1cc(OC(=O)CC)cc(OC(=O)CC)c1
InChIInChI=1S/C14H16O4/c1-4-10-7-11(17-13(15)5-2)9-12(8-10)18-14(16)6-3/h4,7-9H,1,5-6H2,2-3H3
InChIKeyRQIZJANQYPSRIK-UHFFFAOYSA-N
XLogP2.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-ethenyl-5-propanoyloxyphenyl) propanoate?
The IUPAC name of (3-ethenyl-5-propanoyloxyphenyl) propanoate (CID 21433030) is (3-ethenyl-5-propanoyloxyphenyl) propanoate.
What is the SMILES notation for (3-ethenyl-5-propanoyloxyphenyl) propanoate?
The canonical SMILES for (3-ethenyl-5-propanoyloxyphenyl) propanoate is C=Cc1cc(OC(=O)CC)cc(OC(=O)CC)c1.
What is the InChIKey of (3-ethenyl-5-propanoyloxyphenyl) propanoate?
The InChIKey is RQIZJANQYPSRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-4-10-7-11(17-13(15)5-2)9-12(8-10)18-14(16)6-3/h4,7-9H,1,5-6H2,2-3H3.
What are the key properties of (3-ethenyl-5-propanoyloxyphenyl) propanoate?
(3-ethenyl-5-propanoyloxyphenyl) propanoate has a molecular weight of 248.28 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethenyl-5-propanoyloxyphenyl) propanoate is sourced from PubChem (CID 21433030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).