2-[4-(2,2-dimethoxyacetyl)phenoxy]ethyl prop-2-enoate

C15H18O6 — CID 59017570

IUPAC2-[4-(2,2-dimethoxyacetyl)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(C(=O)C(OC)OC)cc1
InChIInChI=1S/C15H18O6/c1-4-13(16)21-10-9-20-12-7-5-11(6-8-12)14(17)15(18-2)19-3/h4-8,15H,1,9-10H2,2-3H3
InChIKeyDZQMBBLXHVRMGK-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.60
Rot. Bonds9

About 2-[4-(2,2-dimethoxyacetyl)phenoxy]ethyl prop-2-enoate

2-[4-(2,2-dimethoxyacetyl)phenoxy]ethyl prop-2-enoate (PubChem CID 59017570) has the molecular formula C15H18O6 and a molecular weight of 294.30 g/mol. Its IUPAC name is 2-[4-(2,2-dimethoxyacetyl)phenoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[4-(2,2-dimethoxyacetyl)phenoxy]ethyl prop-2-enoate
PubChem CID59017570
Molecular FormulaC15H18O6
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Name2-[4-(2,2-dimethoxyacetyl)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(C(=O)C(OC)OC)cc1
InChIInChI=1S/C15H18O6/c1-4-13(16)21-10-9-20-12-7-5-11(6-8-12)14(17)15(18-2)19-3/h4-8,15H,1,9-10H2,2-3H3
InChIKeyDZQMBBLXHVRMGK-UHFFFAOYSA-N
XLogP1.60
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methoxybenzoyl)phenoxy]ethyl prop-2-enoate
CID 67393291
2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate
CID 59181081
2-[2-(4-prop-1-en-2-ylphenoxy)ethoxy]ethyl prop-2-enoate
CID 163299706
2-(4-bromophenoxy)ethyl prop-2-enoate
CID 141115524
2-[4-(4-carbonochloridoylphenyl)phenoxy]ethyl prop-2-enoate
CID 15789891
methyl prop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 174741391
[4-[4-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxybenzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate
CID 118547325
2-[4-[[4-(propan-2-ylcarbamoyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate
CID 59642174
2-[4-[1,1-bis[4-(2-prop-2-enoyloxyethoxy)phenyl]ethyl]phenoxy]ethyl prop-2-enoate;ethane
CID 145475606
2-[2-[1-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 58434140
[4-(propan-2-ylcarbamoyl)phenyl] 4-(2-prop-2-enoyloxyethoxy)benzoate
CID 58981520
methyl 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate
CID 58785395

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dimethoxyacetyl)phenoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[4-(2,2-dimethoxyacetyl)phenoxy]ethyl prop-2-enoate (CID 59017570) is 2-[4-(2,2-dimethoxyacetyl)phenoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[4-(2,2-dimethoxyacetyl)phenoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[4-(2,2-dimethoxyacetyl)phenoxy]ethyl prop-2-enoate is C=CC(=O)OCCOc1ccc(C(=O)C(OC)OC)cc1.
What is the InChIKey of 2-[4-(2,2-dimethoxyacetyl)phenoxy]ethyl prop-2-enoate?
The InChIKey is DZQMBBLXHVRMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O6/c1-4-13(16)21-10-9-20-12-7-5-11(6-8-12)14(17)15(18-2)19-3/h4-8,15H,1,9-10H2,2-3H3.
What are the key properties of 2-[4-(2,2-dimethoxyacetyl)phenoxy]ethyl prop-2-enoate?
2-[4-(2,2-dimethoxyacetyl)phenoxy]ethyl prop-2-enoate has a molecular weight of 294.30 g/mol, XLogP of 1.60, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethoxyacetyl)phenoxy]ethyl prop-2-enoate is sourced from PubChem (CID 59017570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).