3-[2-(2-methylprop-2-enoyloxymethyl)phenoxy]propyl 2-methylprop-2-enoate

C18H22O5 — CID 118333825

IUPAC3-[2-(2-methylprop-2-enoyloxymethyl)phenoxy]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCOc1ccccc1COC(=O)C(=C)C
InChIInChI=1S/C18H22O5/c1-13(2)17(19)22-11-7-10-21-16-9-6-5-8-15(16)12-23-18(20)14(3)4/h5-6,8-9H,1,3,7,10-12H2,2,4H3
InChIKeyKMIGNBFJINRBPO-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.19
Rot. Bonds9

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

3-[2-(2-methylprop-2-enoyloxymethyl)phenoxy]propyl 2-methylprop-2-enoate (PubChem CID 118333825) has the molecular formula C18H22O5 and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-[2-(2-methylprop-2-enoyloxymethyl)phenoxy]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[2-(2-methylprop-2-enoyloxymethyl)phenoxy]propyl 2-methylprop-2-enoate
PubChem CID118333825
Molecular FormulaC18H22O5
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name3-[2-(2-methylprop-2-enoyloxymethyl)phenoxy]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCOc1ccccc1COC(=O)C(=C)C
InChIInChI=1S/C18H22O5/c1-13(2)17(19)22-11-7-10-21-16-9-6-5-8-15(16)12-23-18(20)14(3)4/h5-6,8-9H,1,3,7,10-12H2,2,4H3
InChIKeyKMIGNBFJINRBPO-UHFFFAOYSA-N
XLogP3.19
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylprop-2-enoyloxy)propyl 2-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate
CID 118333815
CID 67159219
CID 67159219
6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate
CID 90308739
(2-ethylphenyl)methyl 2-methylprop-2-enoate
CID 22748890
2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate
CID 118333772
[2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate
CID 66870935
[2-(2-hydroxyethoxy)-5-(4-phenylphenyl)phenyl]methyl 2-methylprop-2-enoate
CID 134200774
4-[4-(2-phenylphenoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139671734
2-(2-hydroxy-3-propylphenoxy)ethyl 2-methylprop-2-enoate
CID 164966256
4-[4-(4-phenoxybutoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139664490
3-[(2-hydroxyphenyl)methylamino]propyl 2-methylprop-2-enoate
CID 69343341
benzyl 2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate
CID 67462298

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylprop-2-enoyloxymethyl)phenoxy]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[2-(2-methylprop-2-enoyloxymethyl)phenoxy]propyl 2-methylprop-2-enoate (CID 118333825) is 3-[2-(2-methylprop-2-enoyloxymethyl)phenoxy]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[2-(2-methylprop-2-enoyloxymethyl)phenoxy]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[2-(2-methylprop-2-enoyloxymethyl)phenoxy]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCOc1ccccc1COC(=O)C(=C)C.
What is the InChIKey of 3-[2-(2-methylprop-2-enoyloxymethyl)phenoxy]propyl 2-methylprop-2-enoate?
The InChIKey is KMIGNBFJINRBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O5/c1-13(2)17(19)22-11-7-10-21-16-9-6-5-8-15(16)12-23-18(20)14(3)4/h5-6,8-9H,1,3,7,10-12H2,2,4H3.
What are the key properties of 3-[2-(2-methylprop-2-enoyloxymethyl)phenoxy]propyl 2-methylprop-2-enoate?
3-[2-(2-methylprop-2-enoyloxymethyl)phenoxy]propyl 2-methylprop-2-enoate has a molecular weight of 318.37 g/mol, XLogP of 3.19, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylprop-2-enoyloxymethyl)phenoxy]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 118333825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).