[4-(4-benzoylphenoxy)carbonyloxyphenyl] prop-2-enoate

C23H16O6 — CID 151151993

IUPAC[4-(4-benzoylphenoxy)carbonyloxyphenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(OC(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H16O6/c1-2-21(24)27-18-12-14-20(15-13-18)29-23(26)28-19-10-8-17(9-11-19)22(25)16-6-4-3-5-7-16/h2-15H,1H2
InChIKeyMYKLBXYWFBBXQI-UHFFFAOYSA-N
MW388.38 g/mol
LogP4.59
Rot. Bonds6

About [4-(4-benzoylphenoxy)carbonyloxyphenyl] prop-2-enoate

[4-(4-benzoylphenoxy)carbonyloxyphenyl] prop-2-enoate (PubChem CID 151151993) has the molecular formula C23H16O6 and a molecular weight of 388.38 g/mol. Its IUPAC name is [4-(4-benzoylphenoxy)carbonyloxyphenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-(4-benzoylphenoxy)carbonyloxyphenyl] prop-2-enoate
PubChem CID151151993
Molecular FormulaC23H16O6
Molecular Weight388.38 g/mol
Exact Mass388.09
IUPAC Name[4-(4-benzoylphenoxy)carbonyloxyphenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(OC(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H16O6/c1-2-21(24)27-18-12-14-20(15-13-18)29-23(26)28-19-10-8-17(9-11-19)22(25)16-6-4-3-5-7-16/h2-15H,1H2
InChIKeyMYKLBXYWFBBXQI-UHFFFAOYSA-N
XLogP4.59
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-benzoylphenyl) ethenyl carbonate
CID 18547361
3-(4-benzoylphenoxy)carbonyloxypropyl prop-2-enoate
CID 22892324
[4-(4-bromobenzoyl)phenyl] prop-2-enoate
CID 67394017
(4-benzoylphenyl) 2-buta-1,3-dien-2-yloxyethyl carbonate
CID 166045571
(4-phenylperoxyphenyl) prop-2-enoate
CID 163991970
phenyl prop-2-enoate;triphenylene
CID 159225619
buta-1,3-diene;diphenyl carbonate
CID 87173366
chloroethene;diphenylmethanone
CID 159955636
[1-(4-benzoylphenoxy)-2-hydroxyethyl] prop-2-enoate
CID 67527646
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
oxirane;phenyl prop-2-enoate
CID 87443709
2-(4-benzoylphenoxy)carbonyloxy-3-phenylprop-2-enoic acid
CID 175113008

Frequently Asked Questions

What is the IUPAC name of [4-(4-benzoylphenoxy)carbonyloxyphenyl] prop-2-enoate?
The IUPAC name of [4-(4-benzoylphenoxy)carbonyloxyphenyl] prop-2-enoate (CID 151151993) is [4-(4-benzoylphenoxy)carbonyloxyphenyl] prop-2-enoate.
What is the SMILES notation for [4-(4-benzoylphenoxy)carbonyloxyphenyl] prop-2-enoate?
The canonical SMILES for [4-(4-benzoylphenoxy)carbonyloxyphenyl] prop-2-enoate is C=CC(=O)Oc1ccc(OC(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-(4-benzoylphenoxy)carbonyloxyphenyl] prop-2-enoate?
The InChIKey is MYKLBXYWFBBXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O6/c1-2-21(24)27-18-12-14-20(15-13-18)29-23(26)28-19-10-8-17(9-11-19)22(25)16-6-4-3-5-7-16/h2-15H,1H2.
What are the key properties of [4-(4-benzoylphenoxy)carbonyloxyphenyl] prop-2-enoate?
[4-(4-benzoylphenoxy)carbonyloxyphenyl] prop-2-enoate has a molecular weight of 388.38 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-benzoylphenoxy)carbonyloxyphenyl] prop-2-enoate is sourced from PubChem (CID 151151993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).