methyl 2-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]acetate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]acetate)

C117H137NO20 — CID 159582166

About methyl 2-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]acetate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]acetate)

methyl 2-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]acetate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]acetate) (PubChem CID 159582166) has the molecular formula C117H137NO20 and a molecular weight of 1877.37 g/mol. Its IUPAC name is methyl 2-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]acetate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]acetate).

Molecular Properties

• Compound Name: methyl 2-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]acetate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]acetate)
• PubChem CID: 159582166
• Molecular Formula: C117H137NO20
• Molecular Weight: 1877.37 g/mol
• Exact Mass: 1875.97
• IUPAC Name: methyl 2-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]acetate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]acetate)
• SMILES: CCOc1cccc(CC(=O)OC)c1COc1ccc(C)cc1C.CCc1cccc(CC(=O)OC)c1COc1ccc(C)cc1C.COC(=O)Cc1cccc(C)c1COc1ccc(C)cc1C.COC(=O)Cc1cccc(C)c1COc1ccc(C)cc1C.COC(=O)Cc1cccc(C2CC2)c1COc1ccc(C)cc1C.COC(=O)Nc1cccc(CO)c1COc1ccc(C)cc1C
• InChI: InChI=1S/C21H24O3.C20H24O4.C20H24O3.2C19H22O3.C18H21NO4/c1-14-7-10-20(15(2)11-14)24-13-19-17(12-21(22)23-3)5-4-6-18(19)16-8-9-16;1-5-23-19-8-6-7-16(12-20(21)22-4)17(19)13-24-18-10-9-14(2)11-15(18)3;1-5-16-7-6-8-17(12-20(21)22-4)18(16)13-23-19-10-9-14(2)11-15(19)3;2*1-13-8-9-18(15(3)10-13)22-12-17-14(2)6-5-7-16(17)11-19(20)21-4;1-12-7-8-17(13(2)9-12)23-11-15-14(10-20)5-4-6-16(15)19-18(21)22-3/h4-7,10-11,16H,8-9,12-13H2,1-3H3;6-11H,5,12-13H2,1-4H3;6-11H,5,12-13H2,1-4H3;2*5-10H,11-12H2,1-4H3;4-9,20H,10-11H2,1-3H3,(H,19,21)
• InChIKey: MJDRYFFPSNPNNG-UHFFFAOYSA-N
• XLogP: 24.00
• TPSA: 254.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 34
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1877.37
LogP ≤ 5	24.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]acetate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]acetate)?

The IUPAC name of methyl 2-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]acetate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]acetate) (CID 159582166) is methyl 2-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]acetate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]acetate).

What is the SMILES notation for methyl 2-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]acetate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]acetate)?

The canonical SMILES for methyl 2-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]acetate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]acetate) is CCOc1cccc(CC(=O)OC)c1COc1ccc(C)cc1C.CCc1cccc(CC(=O)OC)c1COc1ccc(C)cc1C.COC(=O)Cc1cccc(C)c1COc1ccc(C)cc1C.COC(=O)Cc1cccc(C)c1COc1ccc(C)cc1C.COC(=O)Cc1cccc(C2CC2)c1COc1ccc(C)cc1C.COC(=O)Nc1cccc(CO)c1COc1ccc(C)cc1C.

What is the InChIKey of methyl 2-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]acetate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]acetate)?

The InChIKey is MJDRYFFPSNPNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O3.C20H24O4.C20H24O3.2C19H22O3.C18H21NO4/c1-14-7-10-20(15(2)11-14)24-13-19-17(12-21(22)23-3)5-4-6-18(19)16-8-9-16;1-5-23-19-8-6-7-16(12-20(21)22-4)17(19)13-24-18-10-9-14(2)11-15(18)3;1-5-16-7-6-8-17(12-20(21)22-4)18(16)13-23-19-10-9-14(2)11-15(19)3;2*1-13-8-9-18(15(3)10-13)22-12-17-14(2)6-5-7-16(17)11-19(20)21-4;1-12-7-8-17(13(2)9-12)23-11-15-14(10-20)5-4-6-16(15)19-18(21)22-3/h4-7,10-11,16H,8-9,12-13H2,1-3H3;6-11H,5,12-13H2,1-4H3;6-11H,5,12-13H2,1-4H3;2*5-10H,11-12H2,1-4H3;4-9,20H,10-11H2,1-3H3,(H,19,21).

What are the key properties of methyl 2-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]acetate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]acetate)?

methyl 2-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]acetate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]acetate) has a molecular weight of 1877.37 g/mol, XLogP of 24.00, 34 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]acetate;methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]acetate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl 2-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]acetate) is sourced from PubChem (CID 159582166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).