2-[2-(4-prop-1-en-2-ylphenoxy)ethoxy]ethyl prop-2-enoate

C16H20O4 — CID 163299706

IUPAC2-[2-(4-prop-1-en-2-ylphenoxy)ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCOc1ccc(C(=C)C)cc1
InChIInChI=1S/C16H20O4/c1-4-16(17)20-12-10-18-9-11-19-15-7-5-14(6-8-15)13(2)3/h4-8H,1-2,9-12H2,3H3
InChIKeyZMFNDRCTMTZWOW-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.84
Rot. Bonds9

About 2-[2-(4-prop-1-en-2-ylphenoxy)ethoxy]ethyl prop-2-enoate

2-[2-(4-prop-1-en-2-ylphenoxy)ethoxy]ethyl prop-2-enoate (PubChem CID 163299706) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-[2-(4-prop-1-en-2-ylphenoxy)ethoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-(4-prop-1-en-2-ylphenoxy)ethoxy]ethyl prop-2-enoate
PubChem CID163299706
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name2-[2-(4-prop-1-en-2-ylphenoxy)ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCOc1ccc(C(=C)C)cc1
InChIInChI=1S/C16H20O4/c1-4-16(17)20-12-10-18-9-11-19-15-7-5-14(6-8-15)13(2)3/h4-8H,1-2,9-12H2,3H3
InChIKeyZMFNDRCTMTZWOW-UHFFFAOYSA-N
XLogP2.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(4-prop-1-en-2-ylphenoxy)ethoxy]ethyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-2-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzoic acid
CID 168764604
2-(4-bromophenoxy)ethyl prop-2-enoate
CID 141115524
2-(4-prop-1-en-2-ylphenoxy)ethyl carbamate
CID 19792877
2-[4-(4-methoxybenzoyl)phenoxy]ethyl prop-2-enoate
CID 67393291
2-[2-[1-[2-(4-benzoylphenoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 134268276
2-[4-(2,2-dimethoxyacetyl)phenoxy]ethyl prop-2-enoate
CID 59017570
2-[2-[2-[2-[2-[2-[2-(4-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 100992588
2-[2-[4-[2-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate
CID 151210127
2-[2-[1-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 58434140
2-[4-(4-carbonochloridoylphenyl)phenoxy]ethyl prop-2-enoate
CID 15789891
2-[3-[4-[2-[4-[3-(2-prop-2-enoyloxyethoxy)propoxy]phenyl]propan-2-yl]phenoxy]propoxy]ethyl prop-2-enoate
CID 158911579
2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate
CID 59181081

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-prop-1-en-2-ylphenoxy)ethoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[2-(4-prop-1-en-2-ylphenoxy)ethoxy]ethyl prop-2-enoate (CID 163299706) is 2-[2-(4-prop-1-en-2-ylphenoxy)ethoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-(4-prop-1-en-2-ylphenoxy)ethoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-(4-prop-1-en-2-ylphenoxy)ethoxy]ethyl prop-2-enoate is C=CC(=O)OCCOCCOc1ccc(C(=C)C)cc1.
What is the InChIKey of 2-[2-(4-prop-1-en-2-ylphenoxy)ethoxy]ethyl prop-2-enoate?
The InChIKey is ZMFNDRCTMTZWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-4-16(17)20-12-10-18-9-11-19-15-7-5-14(6-8-15)13(2)3/h4-8H,1-2,9-12H2,3H3.
What are the key properties of 2-[2-(4-prop-1-en-2-ylphenoxy)ethoxy]ethyl prop-2-enoate?
2-[2-(4-prop-1-en-2-ylphenoxy)ethoxy]ethyl prop-2-enoate has a molecular weight of 276.33 g/mol, XLogP of 2.84, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-prop-1-en-2-ylphenoxy)ethoxy]ethyl prop-2-enoate is sourced from PubChem (CID 163299706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).