prop-2-enyl 2-(2,4,6-tribromophenoxy)acetate

C11H9Br3O3 — CID 139610668

IUPACprop-2-enyl 2-(2,4,6-tribromophenoxy)acetate
SMILESC=CCOC(=O)COc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C11H9Br3O3/c1-2-3-16-10(15)6-17-11-8(13)4-7(12)5-9(11)14/h2,4-5H,1,3,6H2
InChIKeyLAWXRMCQBBSPIP-UHFFFAOYSA-N
MW428.90 g/mol
LogP4.08
Rot. Bonds5

About prop-2-enyl 2-(2,4,6-tribromophenoxy)acetate

prop-2-enyl 2-(2,4,6-tribromophenoxy)acetate (PubChem CID 139610668) has the molecular formula C11H9Br3O3 and a molecular weight of 428.90 g/mol. Its IUPAC name is prop-2-enyl 2-(2,4,6-tribromophenoxy)acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-(2,4,6-tribromophenoxy)acetate
PubChem CID139610668
Molecular FormulaC11H9Br3O3
Molecular Weight428.90 g/mol
Exact Mass425.81
IUPAC Nameprop-2-enyl 2-(2,4,6-tribromophenoxy)acetate
SMILESC=CCOC(=O)COc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C11H9Br3O3/c1-2-3-16-10(15)6-17-11-8(13)4-7(12)5-9(11)14/h2,4-5H,1,3,6H2
InChIKeyLAWXRMCQBBSPIP-UHFFFAOYSA-N
XLogP4.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.90
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(2,4,6-tribromophenoxy)acetate?
The IUPAC name of prop-2-enyl 2-(2,4,6-tribromophenoxy)acetate (CID 139610668) is prop-2-enyl 2-(2,4,6-tribromophenoxy)acetate.
What is the SMILES notation for prop-2-enyl 2-(2,4,6-tribromophenoxy)acetate?
The canonical SMILES for prop-2-enyl 2-(2,4,6-tribromophenoxy)acetate is C=CCOC(=O)COc1c(Br)cc(Br)cc1Br.
What is the InChIKey of prop-2-enyl 2-(2,4,6-tribromophenoxy)acetate?
The InChIKey is LAWXRMCQBBSPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br3O3/c1-2-3-16-10(15)6-17-11-8(13)4-7(12)5-9(11)14/h2,4-5H,1,3,6H2.
What are the key properties of prop-2-enyl 2-(2,4,6-tribromophenoxy)acetate?
prop-2-enyl 2-(2,4,6-tribromophenoxy)acetate has a molecular weight of 428.90 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(2,4,6-tribromophenoxy)acetate is sourced from PubChem (CID 139610668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).