2-(2-phenylphenoxy)ethyl prop-2-enoate

C17H16O3 — CID 23290047

IUPAC2-(2-phenylphenoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C17H16O3/c1-2-17(18)20-13-12-19-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h2-11H,1,12-13H2
InChIKeyVAZQKPWSBFZARZ-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.46
Rot. Bonds6

About 2-(2-phenylphenoxy)ethyl prop-2-enoate

2-(2-phenylphenoxy)ethyl prop-2-enoate (PubChem CID 23290047) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(2-phenylphenoxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2-phenylphenoxy)ethyl prop-2-enoate
PubChem CID23290047
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name2-(2-phenylphenoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C17H16O3/c1-2-17(18)20-13-12-19-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h2-11H,1,12-13H2
InChIKeyVAZQKPWSBFZARZ-UHFFFAOYSA-N
XLogP3.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylphenoxy)ethyl prop-2-enoate?
The IUPAC name of 2-(2-phenylphenoxy)ethyl prop-2-enoate (CID 23290047) is 2-(2-phenylphenoxy)ethyl prop-2-enoate.
What is the SMILES notation for 2-(2-phenylphenoxy)ethyl prop-2-enoate?
The canonical SMILES for 2-(2-phenylphenoxy)ethyl prop-2-enoate is C=CC(=O)OCCOc1ccccc1-c1ccccc1.
What is the InChIKey of 2-(2-phenylphenoxy)ethyl prop-2-enoate?
The InChIKey is VAZQKPWSBFZARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-2-17(18)20-13-12-19-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h2-11H,1,12-13H2.
What are the key properties of 2-(2-phenylphenoxy)ethyl prop-2-enoate?
2-(2-phenylphenoxy)ethyl prop-2-enoate has a molecular weight of 268.31 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylphenoxy)ethyl prop-2-enoate is sourced from PubChem (CID 23290047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).