[3-(4-chlorophenoxy)-2-phenylprop-1-enyl] formate

C16H13ClO3 — CID 123284272

IUPAC[3-(4-chlorophenoxy)-2-phenylprop-1-enyl] formate
SMILESO=COC=C(COc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H13ClO3/c17-15-6-8-16(9-7-15)20-11-14(10-19-12-18)13-4-2-1-3-5-13/h1-10,12H,11H2
InChIKeyLAHKHBYNJQIRJT-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.93
Rot. Bonds6

About [3-(4-chlorophenoxy)-2-phenylprop-1-enyl] formate

[3-(4-chlorophenoxy)-2-phenylprop-1-enyl] formate (PubChem CID 123284272) has the molecular formula C16H13ClO3 and a molecular weight of 288.73 g/mol. Its IUPAC name is [3-(4-chlorophenoxy)-2-phenylprop-1-enyl] formate.

Molecular Properties

Compound Name[3-(4-chlorophenoxy)-2-phenylprop-1-enyl] formate
PubChem CID123284272
Molecular FormulaC16H13ClO3
Molecular Weight288.73 g/mol
Exact Mass288.06
IUPAC Name[3-(4-chlorophenoxy)-2-phenylprop-1-enyl] formate
SMILESO=COC=C(COc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H13ClO3/c17-15-6-8-16(9-7-15)20-11-14(10-19-12-18)13-4-2-1-3-5-13/h1-10,12H,11H2
InChIKeyLAHKHBYNJQIRJT-UHFFFAOYSA-N
XLogP3.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(4-chlorophenoxy)-3-phenylbut-2-enoic acid
CID 66759105
(Z)-4-(4-chlorophenoxy)-2-hydroxy-3-phenylbut-2-enoic acid
CID 118672362
[2-(4-chlorophenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925584
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
(4E)-4-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid
CID 5341278
[(E)-1-phenylethylideneamino] 2-(4-chlorophenoxy)acetate
CID 6149846
2-(4-chlorophenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide
CID 3256701
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
(2-oxo-1,2-diphenylethyl) 2-(4-chlorophenoxy)acetate
CID 3488846
1-(4-chlorophenoxy)pent-4-en-2-one
CID 105083082
2-(4-chlorophenoxy)acetyl iodide
CID 134255037
1-(4-chlorophenoxy)-3-(2-methylphenyl)propan-2-one
CID 105079492

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenoxy)-2-phenylprop-1-enyl] formate?
The IUPAC name of [3-(4-chlorophenoxy)-2-phenylprop-1-enyl] formate (CID 123284272) is [3-(4-chlorophenoxy)-2-phenylprop-1-enyl] formate.
What is the SMILES notation for [3-(4-chlorophenoxy)-2-phenylprop-1-enyl] formate?
The canonical SMILES for [3-(4-chlorophenoxy)-2-phenylprop-1-enyl] formate is O=COC=C(COc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of [3-(4-chlorophenoxy)-2-phenylprop-1-enyl] formate?
The InChIKey is LAHKHBYNJQIRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO3/c17-15-6-8-16(9-7-15)20-11-14(10-19-12-18)13-4-2-1-3-5-13/h1-10,12H,11H2.
What are the key properties of [3-(4-chlorophenoxy)-2-phenylprop-1-enyl] formate?
[3-(4-chlorophenoxy)-2-phenylprop-1-enyl] formate has a molecular weight of 288.73 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenoxy)-2-phenylprop-1-enyl] formate is sourced from PubChem (CID 123284272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).