2-[(2-bromo-4-methylphenoxy)methyl]benzoic acid;2-[(2-chloro-4,5-dimethylphenoxy)methyl]benzoic acid;2-[(5-chloro-2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-chloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,5-dichloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-ethyl-4-methylphenoxy)methyl]benzoic acid;2-[(2,4,5-trimethylphenoxy)methyl]benzoic acid

C127H120BrCl5O24 — CID 159280195

About 2-[(2-bromo-4-methylphenoxy)methyl]benzoic acid;2-[(2-chloro-4,5-dimethylphenoxy)methyl]benzoic acid;2-[(5-chloro-2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-chloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,5-dichloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-ethyl-4-methylphenoxy)methyl]benzoic acid;2-[(2,4,5-trimethylphenoxy)methyl]benzoic acid

2-[(2-bromo-4-methylphenoxy)methyl]benzoic acid;2-[(2-chloro-4,5-dimethylphenoxy)methyl]benzoic acid;2-[(5-chloro-2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-chloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,5-dichloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-ethyl-4-methylphenoxy)methyl]benzoic acid;2-[(2,4,5-trimethylphenoxy)methyl]benzoic acid (PubChem CID 159280195) has the molecular formula C127H120BrCl5O24 and a molecular weight of 2287.50 g/mol. Its IUPAC name is 2-[(2-bromo-4-methylphenoxy)methyl]benzoic acid;2-[(2-chloro-4,5-dimethylphenoxy)methyl]benzoic acid;2-[(5-chloro-2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-chloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,5-dichloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-ethyl-4-methylphenoxy)methyl]benzoic acid;2-[(2,4,5-trimethylphenoxy)methyl]benzoic acid.

Molecular Properties

• Compound Name: 2-[(2-bromo-4-methylphenoxy)methyl]benzoic acid;2-[(2-chloro-4,5-dimethylphenoxy)methyl]benzoic acid;2-[(5-chloro-2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-chloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,5-dichloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-ethyl-4-methylphenoxy)methyl]benzoic acid;2-[(2,4,5-trimethylphenoxy)methyl]benzoic acid
• PubChem CID: 159280195
• Molecular Formula: C127H120BrCl5O24
• Molecular Weight: 2287.50 g/mol
• Exact Mass: 2282.58
• IUPAC Name: 2-[(2-bromo-4-methylphenoxy)methyl]benzoic acid;2-[(2-chloro-4,5-dimethylphenoxy)methyl]benzoic acid;2-[(5-chloro-2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-chloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,5-dichloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-ethyl-4-methylphenoxy)methyl]benzoic acid;2-[(2,4,5-trimethylphenoxy)methyl]benzoic acid
• SMILES: CCc1cc(C)ccc1OCc1ccccc1C(=O)O.Cc1cc(C)c(OCc2ccccc2C(=O)O)cc1C.Cc1cc(C)c(OCc2ccccc2C(=O)O)cc1Cl.Cc1cc(Cl)c(OCc2ccccc2C(=O)O)cc1C.Cc1cc(Cl)c(OCc2ccccc2C(=O)O)cc1Cl.Cc1ccc(OCc2ccccc2C(=O)O)c(Br)c1.Cc1ccc(OCc2ccccc2C(=O)O)c(C)c1.Cc1ccc(OCc2ccccc2C(=O)O)c(Cl)c1
• InChI: InChI=1S/2C17H18O3.2C16H15ClO3.C16H16O3.C15H13BrO3.C15H12Cl2O3.C15H13ClO3/c1-11-8-13(3)16(9-12(11)2)20-10-14-6-4-5-7-15(14)17(18)19;1-3-13-10-12(2)8-9-16(13)20-11-14-6-4-5-7-15(14)17(18)19;1-10-7-14(17)15(8-11(10)2)20-9-12-5-3-4-6-13(12)16(18)19;1-10-7-11(2)15(8-14(10)17)20-9-12-5-3-4-6-13(12)16(18)19;1-11-7-8-15(12(2)9-11)19-10-13-5-3-4-6-14(13)16(17)18;1-10-6-7-14(13(16)8-10)19-9-11-4-2-3-5-12(11)15(17)18;1-9-6-13(17)14(7-12(9)16)20-8-10-4-2-3-5-11(10)15(18)19;1-10-6-7-14(13(16)8-10)19-9-11-4-2-3-5-12(11)15(17)18/h4-9H,10H2,1-3H3,(H,18,19);4-10H,3,11H2,1-2H3,(H,18,19);2*3-8H,9H2,1-2H3,(H,18,19);3-9H,10H2,1-2H3,(H,17,18);2-8H,9H2,1H3,(H,17,18);2-7H,8H2,1H3,(H,18,19);2-8H,9H2,1H3,(H,17,18)
• InChIKey: KYUVBBCHMLLHFF-UHFFFAOYSA-N
• XLogP: 32.31
• TPSA: 372.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 33
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2287.50
LogP ≤ 5	32.31
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-methylphenoxy)methyl]benzoic acid;2-[(2-chloro-4,5-dimethylphenoxy)methyl]benzoic acid;2-[(5-chloro-2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-chloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,5-dichloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-ethyl-4-methylphenoxy)methyl]benzoic acid;2-[(2,4,5-trimethylphenoxy)methyl]benzoic acid?

The IUPAC name of 2-[(2-bromo-4-methylphenoxy)methyl]benzoic acid;2-[(2-chloro-4,5-dimethylphenoxy)methyl]benzoic acid;2-[(5-chloro-2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-chloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,5-dichloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-ethyl-4-methylphenoxy)methyl]benzoic acid;2-[(2,4,5-trimethylphenoxy)methyl]benzoic acid (CID 159280195) is 2-[(2-bromo-4-methylphenoxy)methyl]benzoic acid;2-[(2-chloro-4,5-dimethylphenoxy)methyl]benzoic acid;2-[(5-chloro-2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-chloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,5-dichloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-ethyl-4-methylphenoxy)methyl]benzoic acid;2-[(2,4,5-trimethylphenoxy)methyl]benzoic acid.

What is the SMILES notation for 2-[(2-bromo-4-methylphenoxy)methyl]benzoic acid;2-[(2-chloro-4,5-dimethylphenoxy)methyl]benzoic acid;2-[(5-chloro-2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-chloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,5-dichloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-ethyl-4-methylphenoxy)methyl]benzoic acid;2-[(2,4,5-trimethylphenoxy)methyl]benzoic acid?

The canonical SMILES for 2-[(2-bromo-4-methylphenoxy)methyl]benzoic acid;2-[(2-chloro-4,5-dimethylphenoxy)methyl]benzoic acid;2-[(5-chloro-2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-chloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,5-dichloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-ethyl-4-methylphenoxy)methyl]benzoic acid;2-[(2,4,5-trimethylphenoxy)methyl]benzoic acid is CCc1cc(C)ccc1OCc1ccccc1C(=O)O.Cc1cc(C)c(OCc2ccccc2C(=O)O)cc1C.Cc1cc(C)c(OCc2ccccc2C(=O)O)cc1Cl.Cc1cc(Cl)c(OCc2ccccc2C(=O)O)cc1C.Cc1cc(Cl)c(OCc2ccccc2C(=O)O)cc1Cl.Cc1ccc(OCc2ccccc2C(=O)O)c(Br)c1.Cc1ccc(OCc2ccccc2C(=O)O)c(C)c1.Cc1ccc(OCc2ccccc2C(=O)O)c(Cl)c1.

What is the InChIKey of 2-[(2-bromo-4-methylphenoxy)methyl]benzoic acid;2-[(2-chloro-4,5-dimethylphenoxy)methyl]benzoic acid;2-[(5-chloro-2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-chloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,5-dichloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-ethyl-4-methylphenoxy)methyl]benzoic acid;2-[(2,4,5-trimethylphenoxy)methyl]benzoic acid?

The InChIKey is KYUVBBCHMLLHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H18O3.2C16H15ClO3.C16H16O3.C15H13BrO3.C15H12Cl2O3.C15H13ClO3/c1-11-8-13(3)16(9-12(11)2)20-10-14-6-4-5-7-15(14)17(18)19;1-3-13-10-12(2)8-9-16(13)20-11-14-6-4-5-7-15(14)17(18)19;1-10-7-14(17)15(8-11(10)2)20-9-12-5-3-4-6-13(12)16(18)19;1-10-7-11(2)15(8-14(10)17)20-9-12-5-3-4-6-13(12)16(18)19;1-11-7-8-15(12(2)9-11)19-10-13-5-3-4-6-14(13)16(17)18;1-10-6-7-14(13(16)8-10)19-9-11-4-2-3-5-12(11)15(17)18;1-9-6-13(17)14(7-12(9)16)20-8-10-4-2-3-5-11(10)15(18)19;1-10-6-7-14(13(16)8-10)19-9-11-4-2-3-5-12(11)15(17)18/h4-9H,10H2,1-3H3,(H,18,19);4-10H,3,11H2,1-2H3,(H,18,19);2*3-8H,9H2,1-2H3,(H,18,19);3-9H,10H2,1-2H3,(H,17,18);2-8H,9H2,1H3,(H,17,18);2-7H,8H2,1H3,(H,18,19);2-8H,9H2,1H3,(H,17,18).

What are the key properties of 2-[(2-bromo-4-methylphenoxy)methyl]benzoic acid;2-[(2-chloro-4,5-dimethylphenoxy)methyl]benzoic acid;2-[(5-chloro-2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-chloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,5-dichloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-ethyl-4-methylphenoxy)methyl]benzoic acid;2-[(2,4,5-trimethylphenoxy)methyl]benzoic acid?

2-[(2-bromo-4-methylphenoxy)methyl]benzoic acid;2-[(2-chloro-4,5-dimethylphenoxy)methyl]benzoic acid;2-[(5-chloro-2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-chloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,5-dichloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-ethyl-4-methylphenoxy)methyl]benzoic acid;2-[(2,4,5-trimethylphenoxy)methyl]benzoic acid has a molecular weight of 2287.50 g/mol, XLogP of 32.31, 33 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-bromo-4-methylphenoxy)methyl]benzoic acid;2-[(2-chloro-4,5-dimethylphenoxy)methyl]benzoic acid;2-[(5-chloro-2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-chloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,5-dichloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-ethyl-4-methylphenoxy)methyl]benzoic acid;2-[(2,4,5-trimethylphenoxy)methyl]benzoic acid is sourced from PubChem (CID 159280195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).