2-(1-phenoxypropan-2-yloxy)ethyl 2-methylprop-2-enoate

C15H20O4 — CID 170549371

IUPAC2-(1-phenoxypropan-2-yloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(C)COc1ccccc1
InChIInChI=1S/C15H20O4/c1-12(2)15(16)18-10-9-17-13(3)11-19-14-7-5-4-6-8-14/h4-8,13H,1,9-11H2,2-3H3
InChIKeyLXEXMLRHKAZCHC-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.59
Rot. Bonds8

About 2-(1-phenoxypropan-2-yloxy)ethyl 2-methylprop-2-enoate

2-(1-phenoxypropan-2-yloxy)ethyl 2-methylprop-2-enoate (PubChem CID 170549371) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(1-phenoxypropan-2-yloxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(1-phenoxypropan-2-yloxy)ethyl 2-methylprop-2-enoate
PubChem CID170549371
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-(1-phenoxypropan-2-yloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(C)COc1ccccc1
InChIInChI=1S/C15H20O4/c1-12(2)15(16)18-10-9-17-13(3)11-19-14-7-5-4-6-8-14/h4-8,13H,1,9-11H2,2-3H3
InChIKeyLXEXMLRHKAZCHC-UHFFFAOYSA-N
XLogP2.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.59
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'}

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Related Compounds

(2-methyl-3-phenoxypropyl) 2-methylprop-2-enoate
CID 59969147
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(2-phenoxyethyl) 2-acetyl-3-methylidenebutanedioate
CID 69167558
4-[4-(4-phenoxybutoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139664490
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
3-(1-phenoxypropan-2-yloxy)propan-1-amine
CID 117067435
ethane;methane;phenoxymethyl 2-methylprop-2-enoate
CID 161278326
ethoxybenzene;ethyl 2-methylprop-2-enoate
CID 175299667
2-[4-[[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]-diphenylmethyl]phenoxy]ethyl 2-methylpropanoate
CID 134385835
2-(2-hydroxyethoxy)-1-phenoxyethanol;2-methylprop-2-enoic acid;2-phenoxyethyl 2-methylprop-2-enoate
CID 159557307
(1-acetyloxy-2-phenoxyethyl) 2-methylprop-2-enoate
CID 21390095
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate;bis(prop-1-ene)
CID 87981100

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenoxypropan-2-yloxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(1-phenoxypropan-2-yloxy)ethyl 2-methylprop-2-enoate (CID 170549371) is 2-(1-phenoxypropan-2-yloxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(1-phenoxypropan-2-yloxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(1-phenoxypropan-2-yloxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC(C)COc1ccccc1.
What is the InChIKey of 2-(1-phenoxypropan-2-yloxy)ethyl 2-methylprop-2-enoate?
The InChIKey is LXEXMLRHKAZCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-12(2)15(16)18-10-9-17-13(3)11-19-14-7-5-4-6-8-14/h4-8,13H,1,9-11H2,2-3H3.
What are the key properties of 2-(1-phenoxypropan-2-yloxy)ethyl 2-methylprop-2-enoate?
2-(1-phenoxypropan-2-yloxy)ethyl 2-methylprop-2-enoate has a molecular weight of 264.32 g/mol, XLogP of 2.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenoxypropan-2-yloxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 170549371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).