[3-bromo-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[3-chloro-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-fluorophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-iodophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-methylphenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate

C109H112BrCl7FIO24 — CID 160898844

About [3-bromo-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[3-chloro-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-fluorophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-iodophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-methylphenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate

[3-bromo-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[3-chloro-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-fluorophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-iodophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-methylphenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate (PubChem CID 160898844) has the molecular formula C109H112BrCl7FIO24 and a molecular weight of 2280.05 g/mol. Its IUPAC name is [3-bromo-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[3-chloro-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-fluorophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-iodophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-methylphenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate.

Molecular Properties

• Compound Name: [3-bromo-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[3-chloro-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-fluorophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-iodophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-methylphenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate
• PubChem CID: 160898844
• Molecular Formula: C109H112BrCl7FIO24
• Molecular Weight: 2280.05 g/mol
• Exact Mass: 2274.36
• IUPAC Name: [3-bromo-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[3-chloro-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-fluorophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-iodophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-methylphenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate
• SMILES: CCc1cc(C)c(Cl)cc1OCc1c(Br)cccc1OC(=O)OC.CCc1cc(C)c(Cl)cc1OCc1c(C)cccc1OC(=O)OC.CCc1cc(C)c(Cl)cc1OCc1c(Cl)cccc1OC(=O)OC.CCc1cc(C)c(Cl)cc1OCc1c(F)cccc1OC(=O)OC.CCc1cc(C)c(Cl)cc1OCc1c(I)cccc1OC(=O)OC.CCc1cc(C)c(Cl)cc1OCc1ccccc1OC(=O)OC
• InChI: InChI=1S/C19H21ClO4.C18H18BrClO4.C18H18Cl2O4.C18H18ClFO4.C18H18ClIO4.C18H19ClO4/c1-5-14-9-13(3)16(20)10-18(14)23-11-15-12(2)7-6-8-17(15)24-19(21)22-4;2*1-4-12-8-11(2)15(20)9-17(12)23-10-13-14(19)6-5-7-16(13)24-18(21)22-3;2*1-4-12-8-11(2)14(19)9-17(12)23-10-13-15(20)6-5-7-16(13)24-18(21)22-3;1-4-13-9-12(2)15(19)10-17(13)22-11-14-7-5-6-8-16(14)23-18(20)21-3/h6-10H,5,11H2,1-4H3;4*5-9H,4,10H2,1-3H3;5-10H,4,11H2,1-3H3
• InChIKey: SPFSITRZKGHOAX-UHFFFAOYSA-N
• XLogP: 32.08
• TPSA: 268.56 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 30
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2280.05
LogP ≤ 5	32.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-bromo-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[3-chloro-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-fluorophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-iodophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-methylphenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate?

The IUPAC name of [3-bromo-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[3-chloro-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-fluorophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-iodophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-methylphenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate (CID 160898844) is [3-bromo-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[3-chloro-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-fluorophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-iodophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-methylphenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate.

What is the SMILES notation for [3-bromo-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[3-chloro-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-fluorophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-iodophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-methylphenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate?

The canonical SMILES for [3-bromo-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[3-chloro-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-fluorophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-iodophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-methylphenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate is CCc1cc(C)c(Cl)cc1OCc1c(Br)cccc1OC(=O)OC.CCc1cc(C)c(Cl)cc1OCc1c(C)cccc1OC(=O)OC.CCc1cc(C)c(Cl)cc1OCc1c(Cl)cccc1OC(=O)OC.CCc1cc(C)c(Cl)cc1OCc1c(F)cccc1OC(=O)OC.CCc1cc(C)c(Cl)cc1OCc1c(I)cccc1OC(=O)OC.CCc1cc(C)c(Cl)cc1OCc1ccccc1OC(=O)OC.

What is the InChIKey of [3-bromo-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[3-chloro-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-fluorophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-iodophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-methylphenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate?

The InChIKey is SPFSITRZKGHOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClO4.C18H18BrClO4.C18H18Cl2O4.C18H18ClFO4.C18H18ClIO4.C18H19ClO4/c1-5-14-9-13(3)16(20)10-18(14)23-11-15-12(2)7-6-8-17(15)24-19(21)22-4;2*1-4-12-8-11(2)15(20)9-17(12)23-10-13-14(19)6-5-7-16(13)24-18(21)22-3;2*1-4-12-8-11(2)14(19)9-17(12)23-10-13-15(20)6-5-7-16(13)24-18(21)22-3;1-4-13-9-12(2)15(19)10-17(13)22-11-14-7-5-6-8-16(14)23-18(20)21-3/h6-10H,5,11H2,1-4H3;4*5-9H,4,10H2,1-3H3;5-10H,4,11H2,1-3H3.

What are the key properties of [3-bromo-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[3-chloro-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-fluorophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-iodophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-methylphenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate?

[3-bromo-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[3-chloro-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-fluorophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-iodophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-methylphenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate has a molecular weight of 2280.05 g/mol, XLogP of 32.08, 30 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [3-bromo-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[3-chloro-2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-fluorophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-iodophenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-methylphenyl] methyl carbonate;[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]phenyl] methyl carbonate is sourced from PubChem (CID 160898844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).