2-(2-bromo-4-methylphenoxy)ethyl prop-2-enoate;(2-bromo-4-methylphenyl) prop-2-enoate;2-(2-chloro-4-methylphenoxy)ethyl prop-2-enoate;(2-chloro-4-methylphenyl) prop-2-enoate;2-(2,4-dimethylphenoxy)ethyl prop-2-enoate;(2,4-dimethylphenyl) prop-2-enoate;(2-fluoro-4-methylphenyl) prop-2-enoate;methane;(4-methylphenyl) prop-2-enoate

C89H95Br2Cl2FO19 — CID 159440070

About 2-(2-bromo-4-methylphenoxy)ethyl prop-2-enoate;(2-bromo-4-methylphenyl) prop-2-enoate;2-(2-chloro-4-methylphenoxy)ethyl prop-2-enoate;(2-chloro-4-methylphenyl) prop-2-enoate;2-(2,4-dimethylphenoxy)ethyl prop-2-enoate;(2,4-dimethylphenyl) prop-2-enoate;(2-fluoro-4-methylphenyl) prop-2-enoate;methane;(4-methylphenyl) prop-2-enoate

2-(2-bromo-4-methylphenoxy)ethyl prop-2-enoate;(2-bromo-4-methylphenyl) prop-2-enoate;2-(2-chloro-4-methylphenoxy)ethyl prop-2-enoate;(2-chloro-4-methylphenyl) prop-2-enoate;2-(2,4-dimethylphenoxy)ethyl prop-2-enoate;(2,4-dimethylphenyl) prop-2-enoate;(2-fluoro-4-methylphenyl) prop-2-enoate;methane;(4-methylphenyl) prop-2-enoate (PubChem CID 159440070) has the molecular formula C89H95Br2Cl2FO19 and a molecular weight of 1718.43 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)ethyl prop-2-enoate;(2-bromo-4-methylphenyl) prop-2-enoate;2-(2-chloro-4-methylphenoxy)ethyl prop-2-enoate;(2-chloro-4-methylphenyl) prop-2-enoate;2-(2,4-dimethylphenoxy)ethyl prop-2-enoate;(2,4-dimethylphenyl) prop-2-enoate;(2-fluoro-4-methylphenyl) prop-2-enoate;methane;(4-methylphenyl) prop-2-enoate.

Molecular Properties

• Compound Name: 2-(2-bromo-4-methylphenoxy)ethyl prop-2-enoate;(2-bromo-4-methylphenyl) prop-2-enoate;2-(2-chloro-4-methylphenoxy)ethyl prop-2-enoate;(2-chloro-4-methylphenyl) prop-2-enoate;2-(2,4-dimethylphenoxy)ethyl prop-2-enoate;(2,4-dimethylphenyl) prop-2-enoate;(2-fluoro-4-methylphenyl) prop-2-enoate;methane;(4-methylphenyl) prop-2-enoate
• PubChem CID: 159440070
• Molecular Formula: C89H95Br2Cl2FO19
• Molecular Weight: 1718.43 g/mol
• Exact Mass: 1714.42
• IUPAC Name: 2-(2-bromo-4-methylphenoxy)ethyl prop-2-enoate;(2-bromo-4-methylphenyl) prop-2-enoate;2-(2-chloro-4-methylphenoxy)ethyl prop-2-enoate;(2-chloro-4-methylphenyl) prop-2-enoate;2-(2,4-dimethylphenoxy)ethyl prop-2-enoate;(2,4-dimethylphenyl) prop-2-enoate;(2-fluoro-4-methylphenyl) prop-2-enoate;methane;(4-methylphenyl) prop-2-enoate
• SMILES: C.C=CC(=O)OCCOc1ccc(C)cc1Br.C=CC(=O)OCCOc1ccc(C)cc1C.C=CC(=O)OCCOc1ccc(C)cc1Cl.C=CC(=O)Oc1ccc(C)cc1.C=CC(=O)Oc1ccc(C)cc1Br.C=CC(=O)Oc1ccc(C)cc1C.C=CC(=O)Oc1ccc(C)cc1Cl.C=CC(=O)Oc1ccc(C)cc1F
• InChI: InChI=1S/C13H16O3.C12H13BrO3.C12H13ClO3.C11H12O2.C10H9BrO2.C10H9ClO2.C10H9FO2.C10H10O2.CH4/c1-4-13(14)16-8-7-15-12-6-5-10(2)9-11(12)3;2*1-3-12(14)16-7-6-15-11-5-4-9(2)8-10(11)13;1-4-11(12)13-10-6-5-8(2)7-9(10)3;3*1-3-10(12)13-9-5-4-7(2)6-8(9)11;1-3-10(11)12-9-6-4-8(2)5-7-9;/h4-6,9H,1,7-8H2,2-3H3;2*3-5,8H,1,6-7H2,2H3;4-7H,1H2,2-3H3;3*3-6H,1H2,2H3;3-7H,1H2,2H3;1H4
• InChIKey: LSBBSPWOSZUPCJ-UHFFFAOYSA-N
• XLogP: 20.97
• TPSA: 238.09 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 25
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1718.43
LogP ≤ 5	20.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)ethyl prop-2-enoate;(2-bromo-4-methylphenyl) prop-2-enoate;2-(2-chloro-4-methylphenoxy)ethyl prop-2-enoate;(2-chloro-4-methylphenyl) prop-2-enoate;2-(2,4-dimethylphenoxy)ethyl prop-2-enoate;(2,4-dimethylphenyl) prop-2-enoate;(2-fluoro-4-methylphenyl) prop-2-enoate;methane;(4-methylphenyl) prop-2-enoate?

The IUPAC name of 2-(2-bromo-4-methylphenoxy)ethyl prop-2-enoate;(2-bromo-4-methylphenyl) prop-2-enoate;2-(2-chloro-4-methylphenoxy)ethyl prop-2-enoate;(2-chloro-4-methylphenyl) prop-2-enoate;2-(2,4-dimethylphenoxy)ethyl prop-2-enoate;(2,4-dimethylphenyl) prop-2-enoate;(2-fluoro-4-methylphenyl) prop-2-enoate;methane;(4-methylphenyl) prop-2-enoate (CID 159440070) is 2-(2-bromo-4-methylphenoxy)ethyl prop-2-enoate;(2-bromo-4-methylphenyl) prop-2-enoate;2-(2-chloro-4-methylphenoxy)ethyl prop-2-enoate;(2-chloro-4-methylphenyl) prop-2-enoate;2-(2,4-dimethylphenoxy)ethyl prop-2-enoate;(2,4-dimethylphenyl) prop-2-enoate;(2-fluoro-4-methylphenyl) prop-2-enoate;methane;(4-methylphenyl) prop-2-enoate.

What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)ethyl prop-2-enoate;(2-bromo-4-methylphenyl) prop-2-enoate;2-(2-chloro-4-methylphenoxy)ethyl prop-2-enoate;(2-chloro-4-methylphenyl) prop-2-enoate;2-(2,4-dimethylphenoxy)ethyl prop-2-enoate;(2,4-dimethylphenyl) prop-2-enoate;(2-fluoro-4-methylphenyl) prop-2-enoate;methane;(4-methylphenyl) prop-2-enoate?

The canonical SMILES for 2-(2-bromo-4-methylphenoxy)ethyl prop-2-enoate;(2-bromo-4-methylphenyl) prop-2-enoate;2-(2-chloro-4-methylphenoxy)ethyl prop-2-enoate;(2-chloro-4-methylphenyl) prop-2-enoate;2-(2,4-dimethylphenoxy)ethyl prop-2-enoate;(2,4-dimethylphenyl) prop-2-enoate;(2-fluoro-4-methylphenyl) prop-2-enoate;methane;(4-methylphenyl) prop-2-enoate is C.C=CC(=O)OCCOc1ccc(C)cc1Br.C=CC(=O)OCCOc1ccc(C)cc1C.C=CC(=O)OCCOc1ccc(C)cc1Cl.C=CC(=O)Oc1ccc(C)cc1.C=CC(=O)Oc1ccc(C)cc1Br.C=CC(=O)Oc1ccc(C)cc1C.C=CC(=O)Oc1ccc(C)cc1Cl.C=CC(=O)Oc1ccc(C)cc1F.

What is the InChIKey of 2-(2-bromo-4-methylphenoxy)ethyl prop-2-enoate;(2-bromo-4-methylphenyl) prop-2-enoate;2-(2-chloro-4-methylphenoxy)ethyl prop-2-enoate;(2-chloro-4-methylphenyl) prop-2-enoate;2-(2,4-dimethylphenoxy)ethyl prop-2-enoate;(2,4-dimethylphenyl) prop-2-enoate;(2-fluoro-4-methylphenyl) prop-2-enoate;methane;(4-methylphenyl) prop-2-enoate?

The InChIKey is LSBBSPWOSZUPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3.C12H13BrO3.C12H13ClO3.C11H12O2.C10H9BrO2.C10H9ClO2.C10H9FO2.C10H10O2.CH4/c1-4-13(14)16-8-7-15-12-6-5-10(2)9-11(12)3;2*1-3-12(14)16-7-6-15-11-5-4-9(2)8-10(11)13;1-4-11(12)13-10-6-5-8(2)7-9(10)3;3*1-3-10(12)13-9-5-4-7(2)6-8(9)11;1-3-10(11)12-9-6-4-8(2)5-7-9;/h4-6,9H,1,7-8H2,2-3H3;2*3-5,8H,1,6-7H2,2H3;4-7H,1H2,2-3H3;3*3-6H,1H2,2H3;3-7H,1H2,2H3;1H4.

What are the key properties of 2-(2-bromo-4-methylphenoxy)ethyl prop-2-enoate;(2-bromo-4-methylphenyl) prop-2-enoate;2-(2-chloro-4-methylphenoxy)ethyl prop-2-enoate;(2-chloro-4-methylphenyl) prop-2-enoate;2-(2,4-dimethylphenoxy)ethyl prop-2-enoate;(2,4-dimethylphenyl) prop-2-enoate;(2-fluoro-4-methylphenyl) prop-2-enoate;methane;(4-methylphenyl) prop-2-enoate?

2-(2-bromo-4-methylphenoxy)ethyl prop-2-enoate;(2-bromo-4-methylphenyl) prop-2-enoate;2-(2-chloro-4-methylphenoxy)ethyl prop-2-enoate;(2-chloro-4-methylphenyl) prop-2-enoate;2-(2,4-dimethylphenoxy)ethyl prop-2-enoate;(2,4-dimethylphenyl) prop-2-enoate;(2-fluoro-4-methylphenyl) prop-2-enoate;methane;(4-methylphenyl) prop-2-enoate has a molecular weight of 1718.43 g/mol, XLogP of 20.97, 25 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-bromo-4-methylphenoxy)ethyl prop-2-enoate;(2-bromo-4-methylphenyl) prop-2-enoate;2-(2-chloro-4-methylphenoxy)ethyl prop-2-enoate;(2-chloro-4-methylphenyl) prop-2-enoate;2-(2,4-dimethylphenoxy)ethyl prop-2-enoate;(2,4-dimethylphenyl) prop-2-enoate;(2-fluoro-4-methylphenyl) prop-2-enoate;methane;(4-methylphenyl) prop-2-enoate is sourced from PubChem (CID 159440070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).