[4-[bis(4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate

C28H22O6 — CID 90224723

IUPAC[4-[bis(4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(C(c2ccc(OC(=O)C=C)cc2)c2ccc(OC(=O)C=C)cc2)cc1
InChIInChI=1S/C28H22O6/c1-4-25(29)32-22-13-7-19(8-14-22)28(20-9-15-23(16-10-20)33-26(30)5-2)21-11-17-24(18-12-21)34-27(31)6-3/h4-18,28H,1-3H2
InChIKeyJYXZYPNEYIIAIW-UHFFFAOYSA-N
MW454.48 g/mol
LogP5.14
Rot. Bonds9

About [4-[bis(4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate

[4-[bis(4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate (PubChem CID 90224723) has the molecular formula C28H22O6 and a molecular weight of 454.48 g/mol. Its IUPAC name is [4-[bis(4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-[bis(4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate
PubChem CID90224723
Molecular FormulaC28H22O6
Molecular Weight454.48 g/mol
Exact Mass454.14
IUPAC Name[4-[bis(4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(C(c2ccc(OC(=O)C=C)cc2)c2ccc(OC(=O)C=C)cc2)cc1
InChIInChI=1S/C28H22O6/c1-4-25(29)32-22-13-7-19(8-14-22)28(20-9-15-23(16-10-20)33-26(30)5-2)21-11-17-24(18-12-21)34-27(31)6-3/h4-18,28H,1-3H2
InChIKeyJYXZYPNEYIIAIW-UHFFFAOYSA-N
XLogP5.14
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.48
LogP ≤ 55.14
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': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[4-[2-(4-benzhydrylphenyl)ethenyl]phenyl] prop-2-enoate
CID 58203279
[4-[3-[[4-[bis[2-prop-2-enoyloxy-5-(4-prop-2-enoyloxyphenyl)phenyl]methyl]phenyl]-[2-prop-2-enoyloxy-5-(4-prop-2-enoyloxyphenyl)phenyl]methyl]-4-prop-2-enoyloxyphenyl]phenyl] prop-2-enoate
CID 135225857
[4-[bis(2,5-dimethyl-4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate
CID 102112166
[4-[[4-[bis(3,5-dimethyl-4-prop-2-enoyloxyphenyl)methyl]phenyl]-(3,5-dimethyl-4-prop-2-enoyloxyphenyl)methyl]-2,6-dimethylphenyl] prop-2-enoate
CID 163521211
[4-[4-(4-prop-2-enoyloxyphenyl)sulfanylphenyl]sulfanylphenyl] prop-2-enoate
CID 59739086
(4-phenylperoxyphenyl) prop-2-enoate
CID 163991970
(4-hydroxyphenyl) prop-2-enoate;methoxymethane
CID 67882332
1-[4-[4-(1-prop-2-enoyloxyethyl)phenoxy]carbonyloxyphenyl]ethyl prop-2-enoate
CID 139655481
[4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate
CID 169009058
(4-prop-2-enoyloxyphenyl)phosphonic acid
CID 69294557
(4-ethynylphenyl) prop-2-enoate
CID 71343404
[4-(2-oxoethyl)phenyl] prop-2-enoate
CID 141400952

Frequently Asked Questions

What is the IUPAC name of [4-[bis(4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate?
The IUPAC name of [4-[bis(4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate (CID 90224723) is [4-[bis(4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate.
What is the SMILES notation for [4-[bis(4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate?
The canonical SMILES for [4-[bis(4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(C(c2ccc(OC(=O)C=C)cc2)c2ccc(OC(=O)C=C)cc2)cc1.
What is the InChIKey of [4-[bis(4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate?
The InChIKey is JYXZYPNEYIIAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O6/c1-4-25(29)32-22-13-7-19(8-14-22)28(20-9-15-23(16-10-20)33-26(30)5-2)21-11-17-24(18-12-21)34-27(31)6-3/h4-18,28H,1-3H2.
What are the key properties of [4-[bis(4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate?
[4-[bis(4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate has a molecular weight of 454.48 g/mol, XLogP of 5.14, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis(4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate is sourced from PubChem (CID 90224723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).