3-phenoxyprop-1-enyl 2-methylprop-2-enoate

C13H14O3 — CID 174635524

IUPAC3-phenoxyprop-1-enyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC=CCOc1ccccc1
InChIInChI=1S/C13H14O3/c1-11(2)13(14)16-10-6-9-15-12-7-4-3-5-8-12/h3-8,10H,1,9H2,2H3
InChIKeyXQORVLMWOZOVAE-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.70
Rot. Bonds5

About 3-phenoxyprop-1-enyl 2-methylprop-2-enoate

3-phenoxyprop-1-enyl 2-methylprop-2-enoate (PubChem CID 174635524) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 3-phenoxyprop-1-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-phenoxyprop-1-enyl 2-methylprop-2-enoate
PubChem CID174635524
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name3-phenoxyprop-1-enyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC=CCOc1ccccc1
InChIInChI=1S/C13H14O3/c1-11(2)13(14)16-10-6-9-15-12-7-4-3-5-8-12/h3-8,10H,1,9H2,2H3
InChIKeyXQORVLMWOZOVAE-UHFFFAOYSA-N
XLogP2.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethane;methane;phenoxymethyl 2-methylprop-2-enoate
CID 161278326
2-methylprop-2-enoic acid;[(E)-2-phenylethenyl] 2-methylprop-2-enoate
CID 138598568
ethoxybenzene;ethyl 2-methylprop-2-enoate
CID 175299667
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
but-2-enoxybenzene
CID 564963
(1-acetyloxy-2-phenoxyethyl) 2-methylprop-2-enoate
CID 21390095
4-[4-(4-phenoxybutoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139664490
(2-methyl-3-phenoxypropyl) 2-methylprop-2-enoate
CID 59969147
prop-2-enoic acid;prop-2-enoxybenzene
CID 174376278
2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463
phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate
CID 20561455
3-[4-[4-[3-(2-methylprop-2-enoyloxy)prop-1-enoxy]phenyl]phenoxy]prop-2-enyl 2-methylprop-2-enoate
CID 123863049

Frequently Asked Questions

What is the IUPAC name of 3-phenoxyprop-1-enyl 2-methylprop-2-enoate?
The IUPAC name of 3-phenoxyprop-1-enyl 2-methylprop-2-enoate (CID 174635524) is 3-phenoxyprop-1-enyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-phenoxyprop-1-enyl 2-methylprop-2-enoate?
The canonical SMILES for 3-phenoxyprop-1-enyl 2-methylprop-2-enoate is C=C(C)C(=O)OC=CCOc1ccccc1.
What is the InChIKey of 3-phenoxyprop-1-enyl 2-methylprop-2-enoate?
The InChIKey is XQORVLMWOZOVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-11(2)13(14)16-10-6-9-15-12-7-4-3-5-8-12/h3-8,10H,1,9H2,2H3.
What are the key properties of 3-phenoxyprop-1-enyl 2-methylprop-2-enoate?
3-phenoxyprop-1-enyl 2-methylprop-2-enoate has a molecular weight of 218.25 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxyprop-1-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 174635524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).