[3-[4-[3-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate

C26H22O6 — CID 59739192

IUPAC[3-[4-[3-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cccc(Oc2ccc(Oc3cccc(OC(=O)C(=C)C)c3)cc2)c1
InChIInChI=1S/C26H22O6/c1-17(2)25(27)31-23-9-5-7-21(15-23)29-19-11-13-20(14-12-19)30-22-8-6-10-24(16-22)32-26(28)18(3)4/h5-16H,1,3H2,2,4H3
InChIKeyYCACDKHUJMGSSA-UHFFFAOYSA-N
MW430.46 g/mol
LogP6.23
Rot. Bonds8

About [3-[4-[3-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate

[3-[4-[3-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate (PubChem CID 59739192) has the molecular formula C26H22O6 and a molecular weight of 430.46 g/mol. Its IUPAC name is [3-[4-[3-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-[4-[3-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
PubChem CID59739192
Molecular FormulaC26H22O6
Molecular Weight430.46 g/mol
Exact Mass430.14
IUPAC Name[3-[4-[3-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cccc(Oc2ccc(Oc3cccc(OC(=O)C(=C)C)c3)cc2)c1
InChIInChI=1S/C26H22O6/c1-17(2)25(27)31-23-9-5-7-21(15-23)29-19-11-13-20(14-12-19)30-22-8-6-10-24(16-22)32-26(28)18(3)4/h5-16H,1,3H2,2,4H3
InChIKeyYCACDKHUJMGSSA-UHFFFAOYSA-N
XLogP6.23
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.46
LogP ≤ 56.23
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

[4-[3-[4-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
CID 59739254
[3-(4-nitrophenoxy)phenyl] 2-methylprop-2-enoate
CID 132783195
[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 58069127
[4-(3-acetyloxyphenoxy)phenyl] acetate
CID 23459901
[3-[(E)-2-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 155004805
[3-[3-(2-methylprop-2-enoyloxy)phenyl]sulfanylphenyl] 2-methylprop-2-enoate
CID 22602097
[4-[4-(2-methylprop-2-enoyloxy)phenoxy]phenyl]-diphenylsulfanium
CID 154009554
[3-[3-(2-methylprop-2-enoyloxy)phenyl]sulfonylphenyl] 2-methylprop-2-enoate
CID 19360927
[3-(dimethylamino)phenyl] 2-methylprop-2-enoate
CID 18954612
[3-(trifluoromethyl)phenyl] 2-methylprop-2-enoate
CID 72524575
[4-[2-[4-[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenyl] 2-methylprop-2-enoate
CID 68830864
[4-[4-(N-phenylanilino)phenoxy]phenyl] 2-methylprop-2-enoate
CID 58800606

Frequently Asked Questions

What is the IUPAC name of [3-[4-[3-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [3-[4-[3-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate (CID 59739192) is [3-[4-[3-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-[4-[3-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-[4-[3-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1cccc(Oc2ccc(Oc3cccc(OC(=O)C(=C)C)c3)cc2)c1.
What is the InChIKey of [3-[4-[3-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate?
The InChIKey is YCACDKHUJMGSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O6/c1-17(2)25(27)31-23-9-5-7-21(15-23)29-19-11-13-20(14-12-19)30-22-8-6-10-24(16-22)32-26(28)18(3)4/h5-16H,1,3H2,2,4H3.
What are the key properties of [3-[4-[3-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate?
[3-[4-[3-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate has a molecular weight of 430.46 g/mol, XLogP of 6.23, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[3-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 59739192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).