[4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate

C28H24O6 — CID 155219793

IUPAC[4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(C(=O)Oc3ccc(CCOC(=O)C(=C)C)cc3)cc2)cc1
InChIInChI=1S/C28H24O6/c1-4-26(29)33-24-15-11-22(12-16-24)21-7-9-23(10-8-21)28(31)34-25-13-5-20(6-14-25)17-18-32-27(30)19(2)3/h4-16H,1-2,17-18H2,3H3
InChIKeyQBRIWPXWFZRRRJ-UHFFFAOYSA-N
MW456.49 g/mol
LogP5.33
Rot. Bonds9

About [4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate

[4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate (PubChem CID 155219793) has the molecular formula C28H24O6 and a molecular weight of 456.49 g/mol. Its IUPAC name is [4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate.

Molecular Properties

Compound Name[4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate
PubChem CID155219793
Molecular FormulaC28H24O6
Molecular Weight456.49 g/mol
Exact Mass456.16
IUPAC Name[4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(C(=O)Oc3ccc(CCOC(=O)C(=C)C)cc3)cc2)cc1
InChIInChI=1S/C28H24O6/c1-4-26(29)33-24-15-11-22(12-16-24)21-7-9-23(10-8-21)28(31)34-25-13-5-20(6-14-25)17-18-32-27(30)19(2)3/h4-16H,1-2,17-18H2,3H3
InChIKeyQBRIWPXWFZRRRJ-UHFFFAOYSA-N
XLogP5.33
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.49
LogP ≤ 55.33
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'}

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Related Compounds

ethane;[4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl] 4-[4-(2-methylprop-2-enoyloxy)phenyl]benzoate;[4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate;bis(2-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]ethyl 2-methylprop-2-enoate);[4-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]phenyl] 2-methylprop-2-enoate;2-[4-[4-(4-prop-2-enoyloxyphenyl)phenyl]phenyl]ethyl 2-methylprop-2-enoate;(4-prop-2-enoyloxyphenyl) 4-(4-prop-2-enoyloxyphenyl)benzoate
CID 161020570
bis[4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl] benzene-1,4-dicarboxylate
CID 129197747
[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]phenyl] 4-(prop-2-enoyloxymethyl)benzoate
CID 58471474
[4-[2-[4-[4-[2-(2-oxopropanoyloxy)ethyl]benzoyl]oxybenzoyl]oxyethyl]phenyl] 4-[2-(2-methylprop-2-enoyloxy)ethyl]benzoate
CID 160947336
[4-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 154601614
[4-[4-[2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 155219900
ethane;2-[4-[[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]methoxy]phenyl]propyl 2-methylprop-2-enoate;[4-[3-(2-methylprop-2-enoyloxy)propyl]phenyl] 4-[4-(2-methylprop-2-enoyloxy)phenyl]benzoate;[4-(2-prop-2-enoyloxyethyl)phenyl] 4-[4-(2-methylprop-2-enoyloxy)phenyl]benzoate;[4-(2-prop-2-enoyloxyethyl)phenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate;3-[4-[[4-(4-prop-2-enoyloxyphenyl)phenyl]methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[4-[[4-(4-prop-2-enoyloxyphenyl)phenyl]methoxy]phenyl]propyl prop-2-enoate;[4-[4-[[4-(3-prop-2-enoyloxypropyl)phenoxy]methyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 159623252
[4-(2-prop-2-enoyloxyethyl)phenyl] 4-methoxybenzoate
CID 145097179
2-[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(2-methylprop-2-enoyloxymethoxy)benzoate
CID 130417195
[4-[4-[[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]methoxy]phenyl]phenyl] 2-methylprop-2-enoate
CID 155628430
[4-[4-(2-prop-2-enoyloxyethoxy)phenyl]phenyl] 4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]benzoate
CID 167376051
[6-[4-(prop-2-enoyloxymethyl)phenyl]naphthalen-2-yl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate
CID 58471467

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate?
The IUPAC name of [4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate (CID 155219793) is [4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate.
What is the SMILES notation for [4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate?
The canonical SMILES for [4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate is C=CC(=O)Oc1ccc(-c2ccc(C(=O)Oc3ccc(CCOC(=O)C(=C)C)cc3)cc2)cc1.
What is the InChIKey of [4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate?
The InChIKey is QBRIWPXWFZRRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O6/c1-4-26(29)33-24-15-11-22(12-16-24)21-7-9-23(10-8-21)28(31)34-25-13-5-20(6-14-25)17-18-32-27(30)19(2)3/h4-16H,1-2,17-18H2,3H3.
What are the key properties of [4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate?
[4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate has a molecular weight of 456.49 g/mol, XLogP of 5.33, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate is sourced from PubChem (CID 155219793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).