1-phenoxyethyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate

C16H20O4 — CID 176718300

IUPAC1-phenoxyethyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate
SMILESC=C(C)COCC(=C)C(=O)OC(C)Oc1ccccc1
InChIInChI=1S/C16H20O4/c1-12(2)10-18-11-13(3)16(17)20-14(4)19-15-8-6-5-7-9-15/h5-9,14H,1,3,10-11H2,2,4H3
InChIKeyJMMLFOZVDNYRSY-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.10
Rot. Bonds8

About 1-phenoxyethyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate

1-phenoxyethyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate (PubChem CID 176718300) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-phenoxyethyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate.

Molecular Properties

Compound Name1-phenoxyethyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate
PubChem CID176718300
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name1-phenoxyethyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate
SMILESC=C(C)COCC(=C)C(=O)OC(C)Oc1ccccc1
InChIInChI=1S/C16H20O4/c1-12(2)10-18-11-13(3)16(17)20-14(4)19-15-8-6-5-7-9-15/h5-9,14H,1,3,10-11H2,2,4H3
InChIKeyJMMLFOZVDNYRSY-UHFFFAOYSA-N
XLogP3.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze 1-phenoxyethyl 2-(2-methylprop-2-enoxymethyl)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

1-(4-phenylphenoxy)ethyl 2-methylprop-2-enoate
CID 19828999
1-[2-(2-methylprop-2-enoxymethyl)prop-2-enoyloxy]propyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate
CID 176655808
1-phenoxyethoxycarbonyloxy 1-phenoxyethyl carbonate
CID 88732415
1-[4-[[4-[1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]methyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 22602054
ethyl 1-phenoxyethyl carbonate
CID 173360681
(E)-2-methyl-3-(1-phenoxyethoxy)pent-2-enoic acid
CID 66602393
1,4-bis[1-(2-methylprop-2-enoxy)ethoxy]benzene
CID 70460937
propan-2-yl 2-(2-methylprop-2-enoxy)acetate
CID 15892945
2-methylprop-2-enoic acid;1-phenoxyethanol
CID 67581727
1-ethoxyethyl prop-2-enoate;1-phenoxyethyl prop-2-enoate
CID 20550277
1-(4-carbonochloridoylphenoxy)ethyl 2-methylprop-2-enoate
CID 19025994
2-methylidene-3-phenoxybutanoic acid
CID 21464511

Frequently Asked Questions

What is the IUPAC name of 1-phenoxyethyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate?
The IUPAC name of 1-phenoxyethyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate (CID 176718300) is 1-phenoxyethyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate.
What is the SMILES notation for 1-phenoxyethyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate?
The canonical SMILES for 1-phenoxyethyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate is C=C(C)COCC(=C)C(=O)OC(C)Oc1ccccc1.
What is the InChIKey of 1-phenoxyethyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate?
The InChIKey is JMMLFOZVDNYRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-12(2)10-18-11-13(3)16(17)20-14(4)19-15-8-6-5-7-9-15/h5-9,14H,1,3,10-11H2,2,4H3.
What are the key properties of 1-phenoxyethyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate?
1-phenoxyethyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate has a molecular weight of 276.33 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxyethyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate is sourced from PubChem (CID 176718300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).