2-[(4-acetamidophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-chlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methoxyphenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate;2-phenylmethoxypropyl 2-methylprop-2-enoate;2-[(2,4,6-trichlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[[4-(trifluoromethyl)phenyl]methoxy]propyl 2-methylprop-2-enoate

C103H128Cl4F3NO23 — CID 159787273

IUPAC2-[(4-acetamidophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-chlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methoxyphenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate;2-phenylmethoxypropyl 2-methylprop-2-enoate;2-[(2,4,6-trichlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[[4-(trifluoromethyl)phenyl]methoxy]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)OCc1c(Cl)cc(Cl)cc1Cl.C=C(C)C(=O)OCC(C)OCc1ccc(C(F)(F)F)cc1.C=C(C)C(=O)OCC(C)OCc1ccc(C)cc1.C=C(C)C(=O)OCC(C)OCc1ccc(Cl)cc1.C=C(C)C(=O)OCC(C)OCc1ccc(NC(C)=O)cc1.C=C(C)C(=O)OCC(C)OCc1ccc(OC)cc1.C=C(C)C(=O)OCC(C)OCc1ccccc1
InChIInChI=1S/C16H21NO4.C15H17F3O3.C15H20O4.C15H20O3.C14H15Cl3O3.C14H17ClO3.C14H18O3/c1-11(2)16(19)21-9-12(3)20-10-14-5-7-15(8-6-14)17-13(4)18;1-10(2)14(19)21-8-11(3)20-9-12-4-6-13(7-5-12)15(16,17)18;1-11(2)15(16)19-9-12(3)18-10-13-5-7-14(17-4)8-6-13;1-11(2)15(16)18-9-13(4)17-10-14-7-5-12(3)6-8-14;1-8(2)14(18)20-6-9(3)19-7-11-12(16)4-10(15)5-13(11)17;1-10(2)14(16)18-8-11(3)17-9-12-4-6-13(15)7-5-12;1-11(2)14(15)17-9-12(3)16-10-13-7-5-4-6-8-13/h5-8,12H,1,9-10H2,2-4H3,(H,17,18);4-7,11H,1,8-9H2,2-3H3;5-8,12H,1,9-10H2,2-4H3;5-8,13H,1,9-10H2,2-4H3;4-5,9H,1,6-7H2,2-3H3;4-7,11H,1,8-9H2,2-3H3;4-8,12H,1,9-10H2,2-3H3
InChIKeyNICMIHCBBAGWDO-UHFFFAOYSA-N
MW1946.95 g/mol
LogP22.88
Rot. Bonds44

About 2-[(4-acetamidophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-chlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methoxyphenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate;2-phenylmethoxypropyl 2-methylprop-2-enoate;2-[(2,4,6-trichlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[[4-(trifluoromethyl)phenyl]methoxy]propyl 2-methylprop-2-enoate

2-[(4-acetamidophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-chlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methoxyphenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate;2-phenylmethoxypropyl 2-methylprop-2-enoate;2-[(2,4,6-trichlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[[4-(trifluoromethyl)phenyl]methoxy]propyl 2-methylprop-2-enoate (PubChem CID 159787273) has the molecular formula C103H128Cl4F3NO23 and a molecular weight of 1946.95 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-chlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methoxyphenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate;2-phenylmethoxypropyl 2-methylprop-2-enoate;2-[(2,4,6-trichlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[[4-(trifluoromethyl)phenyl]methoxy]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-chlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methoxyphenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate;2-phenylmethoxypropyl 2-methylprop-2-enoate;2-[(2,4,6-trichlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[[4-(trifluoromethyl)phenyl]methoxy]propyl 2-methylprop-2-enoate
PubChem CID159787273
Molecular FormulaC103H128Cl4F3NO23
Molecular Weight1946.95 g/mol
Exact Mass1943.76
IUPAC Name2-[(4-acetamidophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-chlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methoxyphenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate;2-phenylmethoxypropyl 2-methylprop-2-enoate;2-[(2,4,6-trichlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[[4-(trifluoromethyl)phenyl]methoxy]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)OCc1c(Cl)cc(Cl)cc1Cl.C=C(C)C(=O)OCC(C)OCc1ccc(C(F)(F)F)cc1.C=C(C)C(=O)OCC(C)OCc1ccc(C)cc1.C=C(C)C(=O)OCC(C)OCc1ccc(Cl)cc1.C=C(C)C(=O)OCC(C)OCc1ccc(NC(C)=O)cc1.C=C(C)C(=O)OCC(C)OCc1ccc(OC)cc1.C=C(C)C(=O)OCC(C)OCc1ccccc1
InChIInChI=1S/C16H21NO4.C15H17F3O3.C15H20O4.C15H20O3.C14H15Cl3O3.C14H17ClO3.C14H18O3/c1-11(2)16(19)21-9-12(3)20-10-14-5-7-15(8-6-14)17-13(4)18;1-10(2)14(19)21-8-11(3)20-9-12-4-6-13(7-5-12)15(16,17)18;1-11(2)15(16)19-9-12(3)18-10-13-5-7-14(17-4)8-6-13;1-11(2)15(16)18-9-13(4)17-10-14-7-5-12(3)6-8-14;1-8(2)14(18)20-6-9(3)19-7-11-12(16)4-10(15)5-13(11)17;1-10(2)14(16)18-8-11(3)17-9-12-4-6-13(15)7-5-12;1-11(2)14(15)17-9-12(3)16-10-13-7-5-4-6-8-13/h5-8,12H,1,9-10H2,2-4H3,(H,17,18);4-7,11H,1,8-9H2,2-3H3;5-8,12H,1,9-10H2,2-4H3;5-8,13H,1,9-10H2,2-4H3;4-5,9H,1,6-7H2,2-3H3;4-7,11H,1,8-9H2,2-3H3;4-8,12H,1,9-10H2,2-3H3
InChIKeyNICMIHCBBAGWDO-UHFFFAOYSA-N
XLogP22.88
TPSA287.04 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds44
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001946.95
LogP ≤ 522.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[(4-acetamidophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-chlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methoxyphenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate;2-phenylmethoxypropyl 2-methylprop-2-enoate;2-[(2,4,6-trichlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[[4-(trifluoromethyl)phenyl]methoxy]propyl 2-methylprop-2-enoate with MolForge

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Related Compounds

2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate
CID 59933632
(2R)-N-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenoxy]propanamide
CID 7467575
2-amino-N-[4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]phenyl]propanamide
CID 159349083
4-[(2R)-2-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 98402858
(4-chlorophenyl) 2-[[3-(trifluoromethyl)phenyl]methoxy]propanoate
CID 57099089
[4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] 3-formamido-2-phenylmethoxypropanoate
CID 91386618
2-[(Z)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 166375707
2-[4-(trifluoromethyl)phenyl]sulfonyloxypropyl 2-methylprop-2-enoate
CID 15508960
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
benzyl 2-(4-methoxyanilino)propanoate
CID 164679734
benzyl N-[(2S,3S)-3-methyl-1-oxo-1-[4-(trifluoromethyl)anilino]pentan-2-yl]carbamate
CID 7611160
(2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 9233741

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-chlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methoxyphenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate;2-phenylmethoxypropyl 2-methylprop-2-enoate;2-[(2,4,6-trichlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[[4-(trifluoromethyl)phenyl]methoxy]propyl 2-methylprop-2-enoate?
The IUPAC name of 2-[(4-acetamidophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-chlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methoxyphenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate;2-phenylmethoxypropyl 2-methylprop-2-enoate;2-[(2,4,6-trichlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[[4-(trifluoromethyl)phenyl]methoxy]propyl 2-methylprop-2-enoate (CID 159787273) is 2-[(4-acetamidophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-chlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methoxyphenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate;2-phenylmethoxypropyl 2-methylprop-2-enoate;2-[(2,4,6-trichlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[[4-(trifluoromethyl)phenyl]methoxy]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[(4-acetamidophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-chlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methoxyphenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate;2-phenylmethoxypropyl 2-methylprop-2-enoate;2-[(2,4,6-trichlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[[4-(trifluoromethyl)phenyl]methoxy]propyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[(4-acetamidophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-chlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methoxyphenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate;2-phenylmethoxypropyl 2-methylprop-2-enoate;2-[(2,4,6-trichlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[[4-(trifluoromethyl)phenyl]methoxy]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)OCc1c(Cl)cc(Cl)cc1Cl.C=C(C)C(=O)OCC(C)OCc1ccc(C(F)(F)F)cc1.C=C(C)C(=O)OCC(C)OCc1ccc(C)cc1.C=C(C)C(=O)OCC(C)OCc1ccc(Cl)cc1.C=C(C)C(=O)OCC(C)OCc1ccc(NC(C)=O)cc1.C=C(C)C(=O)OCC(C)OCc1ccc(OC)cc1.C=C(C)C(=O)OCC(C)OCc1ccccc1.
What is the InChIKey of 2-[(4-acetamidophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-chlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methoxyphenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate;2-phenylmethoxypropyl 2-methylprop-2-enoate;2-[(2,4,6-trichlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[[4-(trifluoromethyl)phenyl]methoxy]propyl 2-methylprop-2-enoate?
The InChIKey is NICMIHCBBAGWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4.C15H17F3O3.C15H20O4.C15H20O3.C14H15Cl3O3.C14H17ClO3.C14H18O3/c1-11(2)16(19)21-9-12(3)20-10-14-5-7-15(8-6-14)17-13(4)18;1-10(2)14(19)21-8-11(3)20-9-12-4-6-13(7-5-12)15(16,17)18;1-11(2)15(16)19-9-12(3)18-10-13-5-7-14(17-4)8-6-13;1-11(2)15(16)18-9-13(4)17-10-14-7-5-12(3)6-8-14;1-8(2)14(18)20-6-9(3)19-7-11-12(16)4-10(15)5-13(11)17;1-10(2)14(16)18-8-11(3)17-9-12-4-6-13(15)7-5-12;1-11(2)14(15)17-9-12(3)16-10-13-7-5-4-6-8-13/h5-8,12H,1,9-10H2,2-4H3,(H,17,18);4-7,11H,1,8-9H2,2-3H3;5-8,12H,1,9-10H2,2-4H3;5-8,13H,1,9-10H2,2-4H3;4-5,9H,1,6-7H2,2-3H3;4-7,11H,1,8-9H2,2-3H3;4-8,12H,1,9-10H2,2-3H3.
What are the key properties of 2-[(4-acetamidophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-chlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methoxyphenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate;2-phenylmethoxypropyl 2-methylprop-2-enoate;2-[(2,4,6-trichlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[[4-(trifluoromethyl)phenyl]methoxy]propyl 2-methylprop-2-enoate?
2-[(4-acetamidophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-chlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methoxyphenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate;2-phenylmethoxypropyl 2-methylprop-2-enoate;2-[(2,4,6-trichlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[[4-(trifluoromethyl)phenyl]methoxy]propyl 2-methylprop-2-enoate has a molecular weight of 1946.95 g/mol, XLogP of 22.88, 44 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-chlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methoxyphenyl)methoxy]propyl 2-methylprop-2-enoate;2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate;2-phenylmethoxypropyl 2-methylprop-2-enoate;2-[(2,4,6-trichlorophenyl)methoxy]propyl 2-methylprop-2-enoate;2-[[4-(trifluoromethyl)phenyl]methoxy]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 159787273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).