2-(4-benzoylphenoxy)carbonyloxyethyl 2-methylprop-2-enoate

C20H18O6 — CID 22892321

IUPAC2-(4-benzoylphenoxy)carbonyloxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H18O6/c1-14(2)19(22)24-12-13-25-20(23)26-17-10-8-16(9-11-17)18(21)15-6-4-3-5-7-15/h3-11H,1,12-13H2,2H3
InChIKeyVEGYHUIBFCBCSY-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.55
Rot. Bonds7

About 2-(4-benzoylphenoxy)carbonyloxyethyl 2-methylprop-2-enoate

2-(4-benzoylphenoxy)carbonyloxyethyl 2-methylprop-2-enoate (PubChem CID 22892321) has the molecular formula C20H18O6 and a molecular weight of 354.36 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)carbonyloxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)carbonyloxyethyl 2-methylprop-2-enoate
PubChem CID22892321
Molecular FormulaC20H18O6
Molecular Weight354.36 g/mol
Exact Mass354.11
IUPAC Name2-(4-benzoylphenoxy)carbonyloxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H18O6/c1-14(2)19(22)24-12-13-25-20(23)26-17-10-8-16(9-11-17)18(21)15-6-4-3-5-7-15/h3-11H,1,12-13H2,2H3
InChIKeyVEGYHUIBFCBCSY-UHFFFAOYSA-N
XLogP3.55
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

(4-benzoylphenyl) 2-buta-1,3-dien-2-yloxyethyl carbonate
CID 166045571
2-(4-benzoyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate
CID 89363324
[4-[4-(2-methylprop-2-enoyloxy)benzoyl]phenyl] 2-methylprop-2-enoate
CID 86688842
(4-benzoylphenyl)methyl 2-methylprop-2-enoate
CID 140797450
2-[4-[2-methoxy-1-[4-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyloxy]phenyl]-2-oxoethyl]phenoxy]carbonyloxyethyl 2-methylprop-2-enoate
CID 54411581
3-(4-benzoylphenoxy)carbonyloxypropyl prop-2-enoate
CID 22892324
(4-benzoylphenyl)methyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
CID 86744144
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
bis[4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl] benzene-1,4-dicarboxylate
CID 129197747
benzoyl benzenecarboperoxoate;butyl 2-methylprop-2-enoate
CID 21486215
3-(2-benzoylphenyl)propyl 2-methylprop-2-enoate
CID 159477201
3-(4-benzoylphenoxy)nonyl 2-methylprop-2-enoate
CID 177252915

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)carbonyloxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(4-benzoylphenoxy)carbonyloxyethyl 2-methylprop-2-enoate (CID 22892321) is 2-(4-benzoylphenoxy)carbonyloxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(4-benzoylphenoxy)carbonyloxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(4-benzoylphenoxy)carbonyloxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC(=O)Oc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(4-benzoylphenoxy)carbonyloxyethyl 2-methylprop-2-enoate?
The InChIKey is VEGYHUIBFCBCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O6/c1-14(2)19(22)24-12-13-25-20(23)26-17-10-8-16(9-11-17)18(21)15-6-4-3-5-7-15/h3-11H,1,12-13H2,2H3.
What are the key properties of 2-(4-benzoylphenoxy)carbonyloxyethyl 2-methylprop-2-enoate?
2-(4-benzoylphenoxy)carbonyloxyethyl 2-methylprop-2-enoate has a molecular weight of 354.36 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)carbonyloxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 22892321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).