3-(4-benzoylphenoxy)carbonyloxypropyl prop-2-enoate

C20H18O6 — CID 22892324

IUPAC3-(4-benzoylphenoxy)carbonyloxypropyl prop-2-enoate
SMILESC=CC(=O)OCCCOC(=O)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H18O6/c1-2-18(21)24-13-6-14-25-20(23)26-17-11-9-16(10-12-17)19(22)15-7-4-3-5-8-15/h2-5,7-12H,1,6,13-14H2
InChIKeyVGGVEUJKYDXBPS-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.55
Rot. Bonds8

About 3-(4-benzoylphenoxy)carbonyloxypropyl prop-2-enoate

3-(4-benzoylphenoxy)carbonyloxypropyl prop-2-enoate (PubChem CID 22892324) has the molecular formula C20H18O6 and a molecular weight of 354.36 g/mol. Its IUPAC name is 3-(4-benzoylphenoxy)carbonyloxypropyl prop-2-enoate.

Molecular Properties

Compound Name3-(4-benzoylphenoxy)carbonyloxypropyl prop-2-enoate
PubChem CID22892324
Molecular FormulaC20H18O6
Molecular Weight354.36 g/mol
Exact Mass354.11
IUPAC Name3-(4-benzoylphenoxy)carbonyloxypropyl prop-2-enoate
SMILESC=CC(=O)OCCCOC(=O)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H18O6/c1-2-18(21)24-13-6-14-25-20(23)26-17-11-9-16(10-12-17)19(22)15-7-4-3-5-8-15/h2-5,7-12H,1,6,13-14H2
InChIKeyVGGVEUJKYDXBPS-UHFFFAOYSA-N
XLogP3.55
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
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-(4-benzoylphenoxy)carbonyloxyphenyl] prop-2-enoate
CID 151151993
(4-benzoylphenyl) 2-buta-1,3-dien-2-yloxyethyl carbonate
CID 166045571
[4-[4-[4-(3-prop-2-enoyloxypropoxycarbonyloxy)benzoyl]oxybenzoyl]oxyphenyl] 4-methylbenzoate
CID 58671990
ethane;4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxybenzoic acid
CID 145123564
[4-(8-prop-2-enoyloxyoctoxy)phenoxy]carbonyl benzoate
CID 140974626
[4-[4-(6-prop-2-enoyloxyhexoxycarbonyloxy)benzoyl]oxyphenyl] 4-hydroxybenzoate
CID 58612768
[4-[4-[4-(6-prop-2-enoyloxyhexoxycarbonyloxy)benzoyl]oxybenzoyl]oxyphenyl] 4-[4-(8-oxodec-9-enoxycarbonyloxy)benzoyl]oxybenzoate
CID 59998576
[4-(4-aminophenyl)phenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate
CID 89271786
8-(4-benzoylperoxycarbonylphenoxy)octyl prop-2-enoate
CID 150942028
2-(4-benzoylphenoxy)carbonyloxyethyl 2-methylprop-2-enoate
CID 22892321
(4-cyanophenyl) 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate
CID 58234144
(4-benzoylphenyl) ethenyl carbonate
CID 18547361

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzoylphenoxy)carbonyloxypropyl prop-2-enoate?
The IUPAC name of 3-(4-benzoylphenoxy)carbonyloxypropyl prop-2-enoate (CID 22892324) is 3-(4-benzoylphenoxy)carbonyloxypropyl prop-2-enoate.
What is the SMILES notation for 3-(4-benzoylphenoxy)carbonyloxypropyl prop-2-enoate?
The canonical SMILES for 3-(4-benzoylphenoxy)carbonyloxypropyl prop-2-enoate is C=CC(=O)OCCCOC(=O)Oc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 3-(4-benzoylphenoxy)carbonyloxypropyl prop-2-enoate?
The InChIKey is VGGVEUJKYDXBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O6/c1-2-18(21)24-13-6-14-25-20(23)26-17-11-9-16(10-12-17)19(22)15-7-4-3-5-8-15/h2-5,7-12H,1,6,13-14H2.
What are the key properties of 3-(4-benzoylphenoxy)carbonyloxypropyl prop-2-enoate?
3-(4-benzoylphenoxy)carbonyloxypropyl prop-2-enoate has a molecular weight of 354.36 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzoylphenoxy)carbonyloxypropyl prop-2-enoate is sourced from PubChem (CID 22892324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).