[3-[3-(2-methylprop-2-enoyloxymethyl)phenoxy]phenyl]methyl 2-methylprop-2-enoate

C22H22O5 — CID 177260916

IUPAC[3-[3-(2-methylprop-2-enoyloxymethyl)phenoxy]phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cccc(Oc2cccc(COC(=O)C(=C)C)c2)c1
InChIInChI=1S/C22H22O5/c1-15(2)21(23)25-13-17-7-5-9-19(11-17)27-20-10-6-8-18(12-20)14-26-22(24)16(3)4/h5-12H,1,3,13-14H2,2,4H3
InChIKeyLKRAJICVKAAMJD-UHFFFAOYSA-N
MW366.41 g/mol
LogP4.72
Rot. Bonds8

About [3-[3-(2-methylprop-2-enoyloxymethyl)phenoxy]phenyl]methyl 2-methylprop-2-enoate

[3-[3-(2-methylprop-2-enoyloxymethyl)phenoxy]phenyl]methyl 2-methylprop-2-enoate (PubChem CID 177260916) has the molecular formula C22H22O5 and a molecular weight of 366.41 g/mol. Its IUPAC name is [3-[3-(2-methylprop-2-enoyloxymethyl)phenoxy]phenyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-[3-(2-methylprop-2-enoyloxymethyl)phenoxy]phenyl]methyl 2-methylprop-2-enoate
PubChem CID177260916
Molecular FormulaC22H22O5
Molecular Weight366.41 g/mol
Exact Mass366.15
IUPAC Name[3-[3-(2-methylprop-2-enoyloxymethyl)phenoxy]phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cccc(Oc2cccc(COC(=O)C(=C)C)c2)c1
InChIInChI=1S/C22H22O5/c1-15(2)21(23)25-13-17-7-5-9-19(11-17)27-20-10-6-8-18(12-20)14-26-22(24)16(3)4/h5-12H,1,3,13-14H2,2,4H3
InChIKeyLKRAJICVKAAMJD-UHFFFAOYSA-N
XLogP4.72
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-naphthalen-2-yloxyphenyl)methyl 2-methylprop-2-enoate
CID 142524657
(3-phenoxyphenyl)methyl (E)-2-methylbut-2-enoate
CID 91740752
[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 14047796
[3-(2-methylprop-2-enoyloxymethyl)phenyl]boronic acid
CID 162702390
[4-[3-(2-methylprop-2-enoyloxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate
CID 139921070
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
[3-[2-(2-methylprop-2-enoyloxy)-3-phenoxypropoxy]phenyl]methyl 2-methylprop-2-enoate
CID 118333770
(3-methoxyphenyl)methyl 2-hydroxyprop-2-enoate
CID 174537082
benzene-1,3-dicarboxylic acid;benzyl 2-methylprop-2-enoate
CID 70522984
[3-[4-(hydroxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate
CID 134200555
benzyl 2-methylprop-2-enoate;butane
CID 174907722
benzyl 2-methyl(113C)prop-2-enoate;benzyl 2-oxo(113C)propanoate
CID 161249019

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-methylprop-2-enoyloxymethyl)phenoxy]phenyl]methyl 2-methylprop-2-enoate?
The IUPAC name of [3-[3-(2-methylprop-2-enoyloxymethyl)phenoxy]phenyl]methyl 2-methylprop-2-enoate (CID 177260916) is [3-[3-(2-methylprop-2-enoyloxymethyl)phenoxy]phenyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [3-[3-(2-methylprop-2-enoyloxymethyl)phenoxy]phenyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [3-[3-(2-methylprop-2-enoyloxymethyl)phenoxy]phenyl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1cccc(Oc2cccc(COC(=O)C(=C)C)c2)c1.
What is the InChIKey of [3-[3-(2-methylprop-2-enoyloxymethyl)phenoxy]phenyl]methyl 2-methylprop-2-enoate?
The InChIKey is LKRAJICVKAAMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O5/c1-15(2)21(23)25-13-17-7-5-9-19(11-17)27-20-10-6-8-18(12-20)14-26-22(24)16(3)4/h5-12H,1,3,13-14H2,2,4H3.
What are the key properties of [3-[3-(2-methylprop-2-enoyloxymethyl)phenoxy]phenyl]methyl 2-methylprop-2-enoate?
[3-[3-(2-methylprop-2-enoyloxymethyl)phenoxy]phenyl]methyl 2-methylprop-2-enoate has a molecular weight of 366.41 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-methylprop-2-enoyloxymethyl)phenoxy]phenyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 177260916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).