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

C26H22O6 — CID 59739254

IUPAC[4-[3-[4-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(Oc2cccc(Oc3ccc(OC(=O)C(=C)C)cc3)c2)cc1
InChIInChI=1S/C26H22O6/c1-17(2)25(27)31-21-12-8-19(9-13-21)29-23-6-5-7-24(16-23)30-20-10-14-22(15-11-20)32-26(28)18(3)4/h5-16H,1,3H2,2,4H3
InChIKeyRLMFVGONXSIGDX-UHFFFAOYSA-N
MW430.46 g/mol
LogP6.23
Rot. Bonds8

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

[4-[3-[4-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate (PubChem CID 59739254) has the molecular formula C26H22O6 and a molecular weight of 430.46 g/mol. Its IUPAC name is [4-[3-[4-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[3-[4-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
PubChem CID59739254
Molecular FormulaC26H22O6
Molecular Weight430.46 g/mol
Exact Mass430.14
IUPAC Name[4-[3-[4-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(Oc2cccc(Oc3ccc(OC(=O)C(=C)C)cc3)c2)cc1
InChIInChI=1S/C26H22O6/c1-17(2)25(27)31-21-12-8-19(9-13-21)29-23-6-5-7-24(16-23)30-20-10-14-22(15-11-20)32-26(28)18(3)4/h5-16H,1,3H2,2,4H3
InChIKeyRLMFVGONXSIGDX-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

[3-[4-[3-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
CID 59739192
[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
[4-[4-(2-methylprop-2-enoyloxy)phenoxy]phenyl]-diphenylsulfanium
CID 154009554
2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463
[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
[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)benzoyl]phenyl] 2-methylprop-2-enoate
CID 86688842
[3-[3-(2-methylprop-2-enoyloxy)phenyl]sulfonylphenyl] 2-methylprop-2-enoate
CID 19360927

Frequently Asked Questions

What is the IUPAC name of [4-[3-[4-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[3-[4-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate (CID 59739254) is [4-[3-[4-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[3-[4-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[3-[4-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(Oc2cccc(Oc3ccc(OC(=O)C(=C)C)cc3)c2)cc1.
What is the InChIKey of [4-[3-[4-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate?
The InChIKey is RLMFVGONXSIGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O6/c1-17(2)25(27)31-21-12-8-19(9-13-21)29-23-6-5-7-24(16-23)30-20-10-14-22(15-11-20)32-26(28)18(3)4/h5-16H,1,3H2,2,4H3.
What are the key properties of [4-[3-[4-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate?
[4-[3-[4-(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 [4-[3-[4-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 59739254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).