prop-2-enoxymethyl 2-(4-methylphenyl)prop-2-enoate

C14H16O3 — CID 140574419

IUPACprop-2-enoxymethyl 2-(4-methylphenyl)prop-2-enoate
SMILESC=CCOCOC(=O)C(=C)c1ccc(C)cc1
InChIInChI=1S/C14H16O3/c1-4-9-16-10-17-14(15)12(3)13-7-5-11(2)6-8-13/h4-8H,1,3,9-10H2,2H3
InChIKeyYPSBLNCDXRQVDI-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.71
Rot. Bonds6

About prop-2-enoxymethyl 2-(4-methylphenyl)prop-2-enoate

prop-2-enoxymethyl 2-(4-methylphenyl)prop-2-enoate (PubChem CID 140574419) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is prop-2-enoxymethyl 2-(4-methylphenyl)prop-2-enoate.

Molecular Properties

Compound Nameprop-2-enoxymethyl 2-(4-methylphenyl)prop-2-enoate
PubChem CID140574419
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Nameprop-2-enoxymethyl 2-(4-methylphenyl)prop-2-enoate
SMILESC=CCOCOC(=O)C(=C)c1ccc(C)cc1
InChIInChI=1S/C14H16O3/c1-4-9-16-10-17-14(15)12(3)13-7-5-11(2)6-8-13/h4-8H,1,3,9-10H2,2H3
InChIKeyYPSBLNCDXRQVDI-UHFFFAOYSA-N
XLogP2.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enoxymethyl 2-(4-methylphenyl)prop-2-enoate?
The IUPAC name of prop-2-enoxymethyl 2-(4-methylphenyl)prop-2-enoate (CID 140574419) is prop-2-enoxymethyl 2-(4-methylphenyl)prop-2-enoate.
What is the SMILES notation for prop-2-enoxymethyl 2-(4-methylphenyl)prop-2-enoate?
The canonical SMILES for prop-2-enoxymethyl 2-(4-methylphenyl)prop-2-enoate is C=CCOCOC(=O)C(=C)c1ccc(C)cc1.
What is the InChIKey of prop-2-enoxymethyl 2-(4-methylphenyl)prop-2-enoate?
The InChIKey is YPSBLNCDXRQVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-4-9-16-10-17-14(15)12(3)13-7-5-11(2)6-8-13/h4-8H,1,3,9-10H2,2H3.
What are the key properties of prop-2-enoxymethyl 2-(4-methylphenyl)prop-2-enoate?
prop-2-enoxymethyl 2-(4-methylphenyl)prop-2-enoate has a molecular weight of 232.28 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoxymethyl 2-(4-methylphenyl)prop-2-enoate is sourced from PubChem (CID 140574419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).