methyl 2-(2-phenoxyethoxy)prop-2-enoate

C12H14O4 — CID 174353972

IUPACmethyl 2-(2-phenoxyethoxy)prop-2-enoate
SMILESC=C(OCCOc1ccccc1)C(=O)OC
InChIInChI=1S/C12H14O4/c1-10(12(13)14-2)15-8-9-16-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3
InChIKeyUEPDHLLKYKPQFF-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.77
Rot. Bonds6

About methyl 2-(2-phenoxyethoxy)prop-2-enoate

methyl 2-(2-phenoxyethoxy)prop-2-enoate (PubChem CID 174353972) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 2-(2-phenoxyethoxy)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(2-phenoxyethoxy)prop-2-enoate
PubChem CID174353972
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Namemethyl 2-(2-phenoxyethoxy)prop-2-enoate
SMILESC=C(OCCOc1ccccc1)C(=O)OC
InChIInChI=1S/C12H14O4/c1-10(12(13)14-2)15-8-9-16-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3
InChIKeyUEPDHLLKYKPQFF-UHFFFAOYSA-N
XLogP1.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenoxyethoxyamino)prop-2-enoic acid
CID 56625837
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
methyl prop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 174741391
2-phenoxyethyl 2-oxobutanoate
CID 71400908
butane;3-oxo-3-(2-phenoxyethoxy)propanoic acid
CID 70425950
2-phenoxyethyl 3-amino-2-methylpropanoate
CID 62671141
2-phenoxyethyl 2-aminoacetate
CID 61302270
2-phenoxyethyl 2-aminopropanoate
CID 61301873
benzyl 2-(2-methoxyethoxy)prop-2-enoate
CID 141018088
2-phenoxyethyl 2-(methylamino)propanoate
CID 62638181
5-methoxycarbonylhexa-2,5-dienoic acid;2-methylidene-4-phenoxybutanoic acid
CID 67395118
methyl 2-phenoxyprop-2-enoate;toluene
CID 174856414

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-phenoxyethoxy)prop-2-enoate?
The IUPAC name of methyl 2-(2-phenoxyethoxy)prop-2-enoate (CID 174353972) is methyl 2-(2-phenoxyethoxy)prop-2-enoate.
What is the SMILES notation for methyl 2-(2-phenoxyethoxy)prop-2-enoate?
The canonical SMILES for methyl 2-(2-phenoxyethoxy)prop-2-enoate is C=C(OCCOc1ccccc1)C(=O)OC.
What is the InChIKey of methyl 2-(2-phenoxyethoxy)prop-2-enoate?
The InChIKey is UEPDHLLKYKPQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-10(12(13)14-2)15-8-9-16-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3.
What are the key properties of methyl 2-(2-phenoxyethoxy)prop-2-enoate?
methyl 2-(2-phenoxyethoxy)prop-2-enoate has a molecular weight of 222.24 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-phenoxyethoxy)prop-2-enoate is sourced from PubChem (CID 174353972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).