[3-[2-(2-methylprop-2-enoyloxy)-3-phenoxypropoxy]phenyl]methyl 2-methylprop-2-enoate

C24H26O6 — CID 118333770

IUPAC[3-[2-(2-methylprop-2-enoyloxy)-3-phenoxypropoxy]phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cccc(OCC(COc2ccccc2)OC(=O)C(=C)C)c1
InChIInChI=1S/C24H26O6/c1-17(2)23(25)29-14-19-9-8-12-21(13-19)28-16-22(30-24(26)18(3)4)15-27-20-10-6-5-7-11-20/h5-13,22H,1,3,14-16H2,2,4H3
InChIKeyMFTITAGXXVKKPZ-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.25
Rot. Bonds11

About [3-[2-(2-methylprop-2-enoyloxy)-3-phenoxypropoxy]phenyl]methyl 2-methylprop-2-enoate

[3-[2-(2-methylprop-2-enoyloxy)-3-phenoxypropoxy]phenyl]methyl 2-methylprop-2-enoate (PubChem CID 118333770) has the molecular formula C24H26O6 and a molecular weight of 410.47 g/mol. Its IUPAC name is [3-[2-(2-methylprop-2-enoyloxy)-3-phenoxypropoxy]phenyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-[2-(2-methylprop-2-enoyloxy)-3-phenoxypropoxy]phenyl]methyl 2-methylprop-2-enoate
PubChem CID118333770
Molecular FormulaC24H26O6
Molecular Weight410.47 g/mol
Exact Mass410.17
IUPAC Name[3-[2-(2-methylprop-2-enoyloxy)-3-phenoxypropoxy]phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cccc(OCC(COc2ccccc2)OC(=O)C(=C)C)c1
InChIInChI=1S/C24H26O6/c1-17(2)23(25)29-14-19-9-8-12-21(13-19)28-16-22(30-24(26)18(3)4)15-27-20-10-6-5-7-11-20/h5-13,22H,1,3,14-16H2,2,4H3
InChIKeyMFTITAGXXVKKPZ-UHFFFAOYSA-N
XLogP4.25
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[[3-[2-[3-(2-methylprop-2-enoyloxy)propylcarbamoyloxy]-3-phenoxypropoxy]phenyl]methoxycarbonylamino]propyl 2-methylprop-2-enoate
CID 118331563
[1-[3-[2-(2-methylprop-2-enoyloxy)-3-(3-phenylphenoxy)propoxy]phenoxy]-3-(3-phenylphenoxy)propan-2-yl] 2-methylprop-2-enoate
CID 23111057
[3-[3-(2-methylprop-2-enoyloxymethyl)phenoxy]phenyl]methyl 2-methylprop-2-enoate
CID 177260916
[1-[3-[3-(2-methylprop-2-enoyloxy)-2-[4-(2-methylprop-2-enoyloxy)butanoyloxy]propoxy]phenoxy]-3-phenoxypropan-2-yl] 4-(2-methylprop-2-enoyloxy)butanoate
CID 157171228
(1-hydroxy-3-phenoxypropan-2-yl) 2-methylprop-2-enoate;(2-hydroxy-3-phenoxypropyl) 2-methylprop-2-enoate
CID 160914554
[1-ethoxy-3-(4-phenoxyphenoxy)propan-2-yl] 2-methylprop-2-enoate
CID 142355306
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
(3-naphthalen-2-yloxyphenyl)methyl 2-methylprop-2-enoate
CID 142524657
1,3-bis(4-ethylphenoxy)propan-2-yl 2-methylprop-2-enoate
CID 134322416
[1-[4-[2-(2-methylprop-2-enoyloxy)-3-naphthalen-1-yloxypropoxy]phenoxy]-3-naphthalen-1-yloxypropan-2-yl] 2-methylprop-2-enoate
CID 68949380
(1-acetyloxy-2-phenoxyethyl) 2-methylprop-2-enoate
CID 21390095
(2-methyl-3-phenoxypropyl) 2-methylprop-2-enoate
CID 59969147

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-methylprop-2-enoyloxy)-3-phenoxypropoxy]phenyl]methyl 2-methylprop-2-enoate?
The IUPAC name of [3-[2-(2-methylprop-2-enoyloxy)-3-phenoxypropoxy]phenyl]methyl 2-methylprop-2-enoate (CID 118333770) is [3-[2-(2-methylprop-2-enoyloxy)-3-phenoxypropoxy]phenyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [3-[2-(2-methylprop-2-enoyloxy)-3-phenoxypropoxy]phenyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [3-[2-(2-methylprop-2-enoyloxy)-3-phenoxypropoxy]phenyl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1cccc(OCC(COc2ccccc2)OC(=O)C(=C)C)c1.
What is the InChIKey of [3-[2-(2-methylprop-2-enoyloxy)-3-phenoxypropoxy]phenyl]methyl 2-methylprop-2-enoate?
The InChIKey is MFTITAGXXVKKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O6/c1-17(2)23(25)29-14-19-9-8-12-21(13-19)28-16-22(30-24(26)18(3)4)15-27-20-10-6-5-7-11-20/h5-13,22H,1,3,14-16H2,2,4H3.
What are the key properties of [3-[2-(2-methylprop-2-enoyloxy)-3-phenoxypropoxy]phenyl]methyl 2-methylprop-2-enoate?
[3-[2-(2-methylprop-2-enoyloxy)-3-phenoxypropoxy]phenyl]methyl 2-methylprop-2-enoate has a molecular weight of 410.47 g/mol, XLogP of 4.25, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-methylprop-2-enoyloxy)-3-phenoxypropoxy]phenyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 118333770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).