2-[4-[2-methyl-4-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate

C25H24O6 — CID 123402652

IUPAC2-[4-[2-methyl-4-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC=COc1ccc(-c2ccc(OC=COC(=O)C(=C)C)cc2C)cc1
InChIInChI=1S/C25H24O6/c1-17(2)24(26)30-14-12-28-21-8-6-20(7-9-21)23-11-10-22(16-19(23)5)29-13-15-31-25(27)18(3)4/h6-16H,1,3H2,2,4-5H3
InChIKeyCCCZTPNKYYRZJD-UHFFFAOYSA-N
MW420.46 g/mol
LogP5.60
Rot. Bonds9

About 2-[4-[2-methyl-4-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate

2-[4-[2-methyl-4-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate (PubChem CID 123402652) has the molecular formula C25H24O6 and a molecular weight of 420.46 g/mol. Its IUPAC name is 2-[4-[2-methyl-4-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[4-[2-methyl-4-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
PubChem CID123402652
Molecular FormulaC25H24O6
Molecular Weight420.46 g/mol
Exact Mass420.16
IUPAC Name2-[4-[2-methyl-4-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC=COc1ccc(-c2ccc(OC=COC(=O)C(=C)C)cc2C)cc1
InChIInChI=1S/C25H24O6/c1-17(2)24(26)30-14-12-28-21-8-6-20(7-9-21)23-11-10-22(16-19(23)5)29-13-15-31-25(27)18(3)4/h6-16H,1,3H2,2,4-5H3
InChIKeyCCCZTPNKYYRZJD-UHFFFAOYSA-N
XLogP5.60
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.46
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123993816
2-[4-[4-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123969143
2-[3-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]-5-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123774805
2-[4-(4-prop-2-enoyloxyphenyl)-3-(trifluoromethyl)phenoxy]ethenyl 2-methylprop-2-enoate
CID 123994431
2-[4-[4-[3-fluoro-4-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123553742
2-[6-(4-prop-2-enoyloxyphenyl)naphthalen-2-yl]oxyethenyl 2-methylprop-2-enoate
CID 123781400
2-[2-fluoro-4-[4-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123353199
2-[4-[5-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123543488
2-[4-[3-(difluoromethyl)-4-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123619500
[4-[2,5-dimethyl-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 135130109
2-[4-(2-methylprop-2-enoyloxy)-3-(trifluoromethyl)phenoxy]ethenyl 2-methylprop-2-enoate
CID 123803428
[4-[3-fluoro-4-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-3-methylphenyl] 2-methylprop-2-enoate
CID 168727534

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-methyl-4-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate?
The IUPAC name of 2-[4-[2-methyl-4-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate (CID 123402652) is 2-[4-[2-methyl-4-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[4-[2-methyl-4-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[4-[2-methyl-4-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate is C=C(C)C(=O)OC=COc1ccc(-c2ccc(OC=COC(=O)C(=C)C)cc2C)cc1.
What is the InChIKey of 2-[4-[2-methyl-4-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate?
The InChIKey is CCCZTPNKYYRZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O6/c1-17(2)24(26)30-14-12-28-21-8-6-20(7-9-21)23-11-10-22(16-19(23)5)29-13-15-31-25(27)18(3)4/h6-16H,1,3H2,2,4-5H3.
What are the key properties of 2-[4-[2-methyl-4-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate?
2-[4-[2-methyl-4-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate has a molecular weight of 420.46 g/mol, XLogP of 5.60, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-methyl-4-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate is sourced from PubChem (CID 123402652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).