[4-[4-[4-(1-prop-2-enoyloxypropan-2-yl)phenyl]phenyl]phenyl] 2-methylprop-2-enoate

C28H26O4 — CID 155628427

IUPAC[4-[4-[4-(1-prop-2-enoyloxypropan-2-yl)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
SMILESC=CC(=O)OCC(C)c1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)cc3)cc2)cc1
InChIInChI=1S/C28H26O4/c1-5-27(29)31-18-20(4)21-6-8-22(9-7-21)23-10-12-24(13-11-23)25-14-16-26(17-15-25)32-28(30)19(2)3/h5-17,20H,1-2,18H2,3-4H3
InChIKeyVGXOSVYRQMGXRS-UHFFFAOYSA-N
MW426.51 g/mol
LogP6.33
Rot. Bonds8

About [4-[4-[4-(1-prop-2-enoyloxypropan-2-yl)phenyl]phenyl]phenyl] 2-methylprop-2-enoate

[4-[4-[4-(1-prop-2-enoyloxypropan-2-yl)phenyl]phenyl]phenyl] 2-methylprop-2-enoate (PubChem CID 155628427) has the molecular formula C28H26O4 and a molecular weight of 426.51 g/mol. Its IUPAC name is [4-[4-[4-(1-prop-2-enoyloxypropan-2-yl)phenyl]phenyl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[4-[4-(1-prop-2-enoyloxypropan-2-yl)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
PubChem CID155628427
Molecular FormulaC28H26O4
Molecular Weight426.51 g/mol
Exact Mass426.18
IUPAC Name[4-[4-[4-(1-prop-2-enoyloxypropan-2-yl)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
SMILESC=CC(=O)OCC(C)c1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)cc3)cc2)cc1
InChIInChI=1S/C28H26O4/c1-5-27(29)31-18-20(4)21-6-8-22(9-7-21)23-10-12-24(13-11-23)25-14-16-26(17-15-25)32-28(30)19(2)3/h5-17,20H,1-2,18H2,3-4H3
InChIKeyVGXOSVYRQMGXRS-UHFFFAOYSA-N
XLogP6.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.51
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 89212422
[4-[4-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 118680413
[4-[4-[2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 155219900
[4-[4-[[4-(4-prop-2-enoyloxyphenyl)phenoxy]methyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 155219776
[4-[4-[[4-(4-prop-2-enoyloxyphenyl)phenyl]methoxy]phenyl]phenyl] 2-methylprop-2-enoate
CID 155628388
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-[4-[[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]methoxy]phenyl]phenyl] 2-methylprop-2-enoate
CID 155628430
(4-pentan-2-ylphenyl) 2-methylprop-2-enoate
CID 89171123
[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methyl prop-2-enoate;[4-[4-(prop-2-enoyloxymethyl)phenyl]phenyl]methyl prop-2-enoate
CID 161314193
6-prop-2-enoyloxyhex-3-enyl 4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]benzoate
CID 123161825
[4-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]-2-prop-2-enoyloxyphenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 118975632
[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]-3-prop-2-enoyloxyphenyl]phenyl] 2-methylprop-2-enoate
CID 118975493

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-(1-prop-2-enoyloxypropan-2-yl)phenyl]phenyl]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[4-[4-(1-prop-2-enoyloxypropan-2-yl)phenyl]phenyl]phenyl] 2-methylprop-2-enoate (CID 155628427) is [4-[4-[4-(1-prop-2-enoyloxypropan-2-yl)phenyl]phenyl]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[4-[4-(1-prop-2-enoyloxypropan-2-yl)phenyl]phenyl]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[4-[4-(1-prop-2-enoyloxypropan-2-yl)phenyl]phenyl]phenyl] 2-methylprop-2-enoate is C=CC(=O)OCC(C)c1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)cc3)cc2)cc1.
What is the InChIKey of [4-[4-[4-(1-prop-2-enoyloxypropan-2-yl)phenyl]phenyl]phenyl] 2-methylprop-2-enoate?
The InChIKey is VGXOSVYRQMGXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O4/c1-5-27(29)31-18-20(4)21-6-8-22(9-7-21)23-10-12-24(13-11-23)25-14-16-26(17-15-25)32-28(30)19(2)3/h5-17,20H,1-2,18H2,3-4H3.
What are the key properties of [4-[4-[4-(1-prop-2-enoyloxypropan-2-yl)phenyl]phenyl]phenyl] 2-methylprop-2-enoate?
[4-[4-[4-(1-prop-2-enoyloxypropan-2-yl)phenyl]phenyl]phenyl] 2-methylprop-2-enoate has a molecular weight of 426.51 g/mol, XLogP of 6.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-(1-prop-2-enoyloxypropan-2-yl)phenyl]phenyl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 155628427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).