1-[4-[[4-[1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]methyl]phenoxy]ethyl 2-methylprop-2-enoate

C25H28O6 — CID 22602054

IUPAC1-[4-[[4-[1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]methyl]phenoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)Oc1ccc(Cc2ccc(OC(C)OC(=O)C(=C)C)cc2)cc1
InChIInChI=1S/C25H28O6/c1-16(2)24(26)30-18(5)28-22-11-7-20(8-12-22)15-21-9-13-23(14-10-21)29-19(6)31-25(27)17(3)4/h7-14,18-19H,1,3,15H2,2,4-6H3
InChIKeyXZNLTBNHBSTUGZ-UHFFFAOYSA-N
MW424.49 g/mol
LogP4.97
Rot. Bonds10

About 1-[4-[[4-[1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]methyl]phenoxy]ethyl 2-methylprop-2-enoate

1-[4-[[4-[1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]methyl]phenoxy]ethyl 2-methylprop-2-enoate (PubChem CID 22602054) has the molecular formula C25H28O6 and a molecular weight of 424.49 g/mol. Its IUPAC name is 1-[4-[[4-[1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]methyl]phenoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-[4-[[4-[1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]methyl]phenoxy]ethyl 2-methylprop-2-enoate
PubChem CID22602054
Molecular FormulaC25H28O6
Molecular Weight424.49 g/mol
Exact Mass424.19
IUPAC Name1-[4-[[4-[1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]methyl]phenoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)Oc1ccc(Cc2ccc(OC(C)OC(=O)C(=C)C)cc2)cc1
InChIInChI=1S/C25H28O6/c1-16(2)24(26)30-18(5)28-22-11-7-20(8-12-22)15-21-9-13-23(14-10-21)29-19(6)31-25(27)17(3)4/h7-14,18-19H,1,3,15H2,2,4-6H3
InChIKeyXZNLTBNHBSTUGZ-UHFFFAOYSA-N
XLogP4.97
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-carbonochloridoylphenoxy)ethyl 2-methylprop-2-enoate
CID 19025994
1-(4-phenylphenoxy)ethyl 2-methylprop-2-enoate
CID 19828999
[hydroxy-(4-methylphenoxy)methyl] 2-methylprop-2-enoate
CID 135269778
1-phenoxyethyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate
CID 176718300
1,3-bis(4-ethylphenoxy)propan-2-yl 2-methylprop-2-enoate
CID 134322416
[4-[1-(2-methylprop-2-enoyloxy)ethoxy]naphthalen-1-yl] 2-methylprop-2-enoate
CID 139636295
1-[1-[1-[1-[4-[2-[4-[1-[1-[1-[1-(2-methylprop-2-enoyloxy)propoxy]propoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]propoxy]propyl 2-methylprop-2-enoate
CID 21217261
1-[4-[[4-[2-(2-methylprop-2-enoyloxy)propoxycarbonyloxyamino]phenyl]methyl]anilino]oxycarbonyloxypropan-2-yl 2-methylprop-2-enoate
CID 88527554
2-[1-[4-[1-(2-methylprop-2-enoyloxy)-2-propan-2-yloxyethyl]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 167354285
4-[2-(2-methylprop-2-enoyloxy)propyl]benzenesulfonic acid
CID 88730575
1-[2-[2-[2-[1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate
CID 22011551
1-phenylpropan-2-yl 2-methylprop-2-enoate
CID 68742666

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]methyl]phenoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-[4-[[4-[1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]methyl]phenoxy]ethyl 2-methylprop-2-enoate (CID 22602054) is 1-[4-[[4-[1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]methyl]phenoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-[4-[[4-[1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]methyl]phenoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-[4-[[4-[1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]methyl]phenoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)Oc1ccc(Cc2ccc(OC(C)OC(=O)C(=C)C)cc2)cc1.
What is the InChIKey of 1-[4-[[4-[1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]methyl]phenoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is XZNLTBNHBSTUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O6/c1-16(2)24(26)30-18(5)28-22-11-7-20(8-12-22)15-21-9-13-23(14-10-21)29-19(6)31-25(27)17(3)4/h7-14,18-19H,1,3,15H2,2,4-6H3.
What are the key properties of 1-[4-[[4-[1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]methyl]phenoxy]ethyl 2-methylprop-2-enoate?
1-[4-[[4-[1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]methyl]phenoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 424.49 g/mol, XLogP of 4.97, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]methyl]phenoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 22602054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).