2-(4-benzoyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate

C20H20O4 — CID 89363324

IUPAC2-(4-benzoyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOc1ccc(C(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C20H20O4/c1-14(2)20(22)24-12-11-23-17-9-10-18(15(3)13-17)19(21)16-7-5-4-6-8-16/h4-10,13H,1,11-12H2,2-3H3
InChIKeySNRUSDOYWJVHHT-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.72
Rot. Bonds7

About 2-(4-benzoyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate

2-(4-benzoyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate (PubChem CID 89363324) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(4-benzoyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(4-benzoyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate
PubChem CID89363324
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name2-(4-benzoyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOc1ccc(C(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C20H20O4/c1-14(2)20(22)24-12-11-23-17-9-10-18(15(3)13-17)19(21)16-7-5-4-6-8-16/h4-10,13H,1,11-12H2,2-3H3
InChIKeySNRUSDOYWJVHHT-UHFFFAOYSA-N
XLogP3.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.72
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-(4-benzoyl-3-hydroxyphenoxy)ethyl prop-2-enoate;butyl 2-methylprop-2-enoate
CID 67726276
2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl 2-methylprop-2-enoate
CID 141385428
2-(4-benzoylphenoxy)carbonyloxyethyl 2-methylprop-2-enoate
CID 22892321
2-[4-(2-hydroxy-2-phenylacetyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 153322915
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
[3-(4-benzoyl-3-hydroxyphenoxy)-2-methylpropyl] 2-methylprop-2-enoate
CID 175051877
3-(2-benzoylphenyl)propyl 2-methylprop-2-enoate
CID 159477201
2-[2-[3-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 118333861
2-(3-benzoyl-2,6-dihydroxyphenyl)ethyl 2-methylprop-2-enoate
CID 169082390
2-fluoro-1,4-dimethylbenzene;bis(2-phenoxyethyl 2-methylprop-2-enoate)
CID 144896572
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
5-(4-benzoyl-3-hydroxyphenoxy)hexyl 2-methylprop-2-enoate
CID 174534430

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(4-benzoyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate (CID 89363324) is 2-(4-benzoyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(4-benzoyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(4-benzoyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOc1ccc(C(=O)c2ccccc2)c(C)c1.
What is the InChIKey of 2-(4-benzoyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate?
The InChIKey is SNRUSDOYWJVHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-14(2)20(22)24-12-11-23-17-9-10-18(15(3)13-17)19(21)16-7-5-4-6-8-16/h4-10,13H,1,11-12H2,2-3H3.
What are the key properties of 2-(4-benzoyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate?
2-(4-benzoyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate has a molecular weight of 324.38 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 89363324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).