prop-2-enyl (E)-2-methyl-3-(4-prop-2-enoxyphenyl)prop-2-enoate

C16H18O3 — CID 131745000

IUPACprop-2-enyl (E)-2-methyl-3-(4-prop-2-enoxyphenyl)prop-2-enoate
SMILESC=CCOC(=O)/C(C)=C/c1ccc(OCC=C)cc1
InChIInChI=1S/C16H18O3/c1-4-10-18-15-8-6-14(7-9-15)12-13(3)16(17)19-11-5-2/h4-9,12H,1-2,10-11H2,3H3/b13-12+
InChIKeyJFTHPACWFKYNMF-OUKQBFOZSA-N
MW258.32 g/mol
LogP3.38
Rot. Bonds7

About prop-2-enyl (E)-2-methyl-3-(4-prop-2-enoxyphenyl)prop-2-enoate

prop-2-enyl (E)-2-methyl-3-(4-prop-2-enoxyphenyl)prop-2-enoate (PubChem CID 131745000) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is prop-2-enyl (E)-2-methyl-3-(4-prop-2-enoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nameprop-2-enyl (E)-2-methyl-3-(4-prop-2-enoxyphenyl)prop-2-enoate
PubChem CID131745000
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Nameprop-2-enyl (E)-2-methyl-3-(4-prop-2-enoxyphenyl)prop-2-enoate
SMILESC=CCOC(=O)/C(C)=C/c1ccc(OCC=C)cc1
InChIInChI=1S/C16H18O3/c1-4-10-18-15-8-6-14(7-9-15)12-13(3)16(17)19-11-5-2/h4-9,12H,1-2,10-11H2,3H3/b13-12+
InChIKeyJFTHPACWFKYNMF-OUKQBFOZSA-N
XLogP3.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-(4-hydroxy-3-prop-2-enoxyphenyl)-2-methylprop-2-enoate
CID 10467872
ethyl (Z)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]-2-methylprop-2-enoate
CID 168749356
ethyl (E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]-2-methylprop-2-enoate
CID 168749372
ethyl (E)-3-(3-hydroxy-4-prop-2-enoxyphenyl)-2-methylprop-2-enoate
CID 10084052
1,4-bis(ethenyl)benzene;prop-2-enyl 2-methylprop-2-enoate
CID 174791645
2-(4-methylphenoxy)-3-(4-prop-2-enoxyphenyl)prop-2-enoic acid
CID 139651340
1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene
CID 89211050
2-(4-prop-2-enoxyphenoxy)acetamide
CID 3608594
3-(4-ethoxyphenyl)-2-methylprop-2-enoic acid
CID 54032507
methyl (E)-3-[4-(4-hydrazinyl-4-oxobutoxy)phenyl]-2-methylprop-2-enoate
CID 71148683
(3S)-3-amino-4-(4-prop-2-enoxyphenyl)butan-2-one
CID 170070468
(4-aminophenyl) (E)-3-[4-(4-aminophenyl)phenyl]-2-methylprop-2-enoate
CID 145084883

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (E)-2-methyl-3-(4-prop-2-enoxyphenyl)prop-2-enoate?
The IUPAC name of prop-2-enyl (E)-2-methyl-3-(4-prop-2-enoxyphenyl)prop-2-enoate (CID 131745000) is prop-2-enyl (E)-2-methyl-3-(4-prop-2-enoxyphenyl)prop-2-enoate.
What is the SMILES notation for prop-2-enyl (E)-2-methyl-3-(4-prop-2-enoxyphenyl)prop-2-enoate?
The canonical SMILES for prop-2-enyl (E)-2-methyl-3-(4-prop-2-enoxyphenyl)prop-2-enoate is C=CCOC(=O)/C(C)=C/c1ccc(OCC=C)cc1.
What is the InChIKey of prop-2-enyl (E)-2-methyl-3-(4-prop-2-enoxyphenyl)prop-2-enoate?
The InChIKey is JFTHPACWFKYNMF-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H18O3/c1-4-10-18-15-8-6-14(7-9-15)12-13(3)16(17)19-11-5-2/h4-9,12H,1-2,10-11H2,3H3/b13-12+.
What are the key properties of prop-2-enyl (E)-2-methyl-3-(4-prop-2-enoxyphenyl)prop-2-enoate?
prop-2-enyl (E)-2-methyl-3-(4-prop-2-enoxyphenyl)prop-2-enoate has a molecular weight of 258.32 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (E)-2-methyl-3-(4-prop-2-enoxyphenyl)prop-2-enoate is sourced from PubChem (CID 131745000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).