[4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate

C23H18O7 — CID 118069099

IUPAC[4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc(C(=O)c2cc(OC(=O)C=C)ccc2OC(=O)C=C)cc1
InChIInChI=1S/C23H18O7/c1-4-20(24)28-14-15-7-9-16(10-8-15)23(27)18-13-17(29-21(25)5-2)11-12-19(18)30-22(26)6-3/h4-13H,1-3,14H2
InChIKeyVDGAENUZZGFTCT-UHFFFAOYSA-N
MW406.39 g/mol
LogP3.33
Rot. Bonds9

About [4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate

[4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate (PubChem CID 118069099) has the molecular formula C23H18O7 and a molecular weight of 406.39 g/mol. Its IUPAC name is [4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate.

Molecular Properties

Compound Name[4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate
PubChem CID118069099
Molecular FormulaC23H18O7
Molecular Weight406.39 g/mol
Exact Mass406.11
IUPAC Name[4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc(C(=O)c2cc(OC(=O)C=C)ccc2OC(=O)C=C)cc1
InChIInChI=1S/C23H18O7/c1-4-20(24)28-14-15-7-9-16(10-8-15)23(27)18-13-17(29-21(25)5-2)11-12-19(18)30-22(26)6-3/h4-13H,1-3,14H2
InChIKeyVDGAENUZZGFTCT-UHFFFAOYSA-N
XLogP3.33
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-(prop-2-enoyloxymethyl)benzoyl]phenyl]methyl prop-2-enoate
CID 171722962
[4-[4-(prop-2-enoyloxymethyl)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethyl)benzoate
CID 20718187
[4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-(4-methylbenzoyl)phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-[4-[(prop-2-enoylamino)methyl]benzoyl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-(4-methylbenzoyl)-4-prop-2-enoyloxyphenyl] prop-2-enoate
CID 162033233
[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl]methyl 2,5-bis[[4-(12-prop-2-enoyloxydodecoxy)benzoyl]oxy]benzoate
CID 23355754
[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl]methyl 2,5-bis[[4-(9-prop-2-enoyloxynonoxy)benzoyl]oxy]benzoate
CID 23355783
[4-(prop-2-enoyloxymethyl)phenyl] 4-[4-(prop-2-enoyloxymethyl)phenyl]benzoate
CID 58471422
anthracen-2-ylmethyl prop-2-enoate
CID 163424587
[4-(2-phenylethynyl)phenyl]methyl 2,5-bis[[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxy]benzoate
CID 175183383
(2-benzoyl-4-methylphenyl) prop-2-enoate
CID 89073800
bicyclo[2.2.0]hexa-1,3,5-triene;(4-ethynylphenyl)methyl 2,5-bis[[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy]benzoate
CID 175194492
6-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyhexyl 2,5-bis[[4-(11-prop-2-enoyloxyundecoxy)benzoyl]oxy]benzoate
CID 23355751
[4-[3-(prop-2-enoyloxymethyl)-4-[4-(4-propylbenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-propylbenzoate
CID 134597376

Frequently Asked Questions

What is the IUPAC name of [4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate?
The IUPAC name of [4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate (CID 118069099) is [4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate.
What is the SMILES notation for [4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate?
The canonical SMILES for [4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate is C=CC(=O)OCc1ccc(C(=O)c2cc(OC(=O)C=C)ccc2OC(=O)C=C)cc1.
What is the InChIKey of [4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate?
The InChIKey is VDGAENUZZGFTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O7/c1-4-20(24)28-14-15-7-9-16(10-8-15)23(27)18-13-17(29-21(25)5-2)11-12-19(18)30-22(26)6-3/h4-13H,1-3,14H2.
What are the key properties of [4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate?
[4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate has a molecular weight of 406.39 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate is sourced from PubChem (CID 118069099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).