2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-(3-chloro-2,2,3-trifluoropropyl)-4-methoxy-1-methylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene

C141H182Cl4F6O19 — CID 160629878

About 2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-(3-chloro-2,2,3-trifluoropropyl)-4-methoxy-1-methylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene

2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-(3-chloro-2,2,3-trifluoropropyl)-4-methoxy-1-methylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene (PubChem CID 160629878) has the molecular formula C141H182Cl4F6O19 and a molecular weight of 2436.79 g/mol. Its IUPAC name is 2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-(3-chloro-2,2,3-trifluoropropyl)-4-methoxy-1-methylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene.

Molecular Properties

• Compound Name: 2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-(3-chloro-2,2,3-trifluoropropyl)-4-methoxy-1-methylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene
• PubChem CID: 160629878
• Molecular Formula: C141H182Cl4F6O19
• Molecular Weight: 2436.79 g/mol
• Exact Mass: 2433.19
• IUPAC Name: 2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-(3-chloro-2,2,3-trifluoropropyl)-4-methoxy-1-methylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene
• SMILES: CCCOc1ccc(C)cc1.CCOc1cc(C)ccc1OC.CCOc1ccc(C)cc1OC.COCCOc1ccc(C)cc1Cl.COc1ccc(C)c(CC(F)(F)C(F)Cl)c1.Cc1ccc(OC(C)C)c(Cl)c1.Cc1ccc(OC(C)C)c(F)c1.Cc1ccc(OC(C)C)cc1Cl.Cc1ccc(OC(C)C)cc1F.Cc1ccc(OC2COC2)c(F)c1.Cc1cccc(C(C)C)c1O.Cc1cccc2c1OCCC2.Cc1cccc2c1OCCCO2.Cc1ccccc1OC(C)C
• InChI: InChI=1S/C11H12ClF3O.C10H13ClO2.2C10H13ClO.C10H11FO2.2C10H13FO.C10H12O2.2C10H14O2.C10H12O.3C10H14O/c1-7-3-4-9(16-2)5-8(7)6-11(14,15)10(12)13;1-8-3-4-10(9(11)7-8)13-6-5-12-2;1-7(2)12-9-5-4-8(3)10(11)6-9;1-7(2)12-10-5-4-8(3)6-9(10)11;1-7-2-3-10(9(11)4-7)13-8-5-12-6-8;1-7(2)12-9-5-4-8(3)10(11)6-9;1-7(2)12-10-5-4-8(3)6-9(10)11;1-8-4-2-5-9-10(8)12-7-3-6-11-9;1-4-12-9-6-5-8(2)7-10(9)11-3;1-4-12-10-7-8(2)5-6-9(10)11-3;1-8-4-2-5-9-6-3-7-11-10(8)9;1-8(2)11-10-7-5-4-6-9(10)3;1-7(2)9-6-4-5-8(3)10(9)11;1-3-8-11-10-6-4-9(2)5-7-10/h3-5,10H,6H2,1-2H3;3-4,7H,5-6H2,1-2H3;2*4-7H,1-3H3;2-4,8H,5-6H2,1H3;2*4-7H,1-3H3;2,4-5H,3,6-7H2,1H3;2*5-7H,4H2,1-3H3;2,4-5H,3,6-7H2,1H3;4-8H,1-3H3;4-7,11H,1-3H3;4-7H,3,8H2,1-2H3
• InChIKey: RHTZEOUXFSCYLN-UHFFFAOYSA-N
• XLogP: 38.69
• TPSA: 186.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 30
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2436.79
LogP ≤ 5	38.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-(3-chloro-2,2,3-trifluoropropyl)-4-methoxy-1-methylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene?

The IUPAC name of 2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-(3-chloro-2,2,3-trifluoropropyl)-4-methoxy-1-methylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene (CID 160629878) is 2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-(3-chloro-2,2,3-trifluoropropyl)-4-methoxy-1-methylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene.

What is the SMILES notation for 2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-(3-chloro-2,2,3-trifluoropropyl)-4-methoxy-1-methylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene?

The canonical SMILES for 2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-(3-chloro-2,2,3-trifluoropropyl)-4-methoxy-1-methylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene is CCCOc1ccc(C)cc1.CCOc1cc(C)ccc1OC.CCOc1ccc(C)cc1OC.COCCOc1ccc(C)cc1Cl.COc1ccc(C)c(CC(F)(F)C(F)Cl)c1.Cc1ccc(OC(C)C)c(Cl)c1.Cc1ccc(OC(C)C)c(F)c1.Cc1ccc(OC(C)C)cc1Cl.Cc1ccc(OC(C)C)cc1F.Cc1ccc(OC2COC2)c(F)c1.Cc1cccc(C(C)C)c1O.Cc1cccc2c1OCCC2.Cc1cccc2c1OCCCO2.Cc1ccccc1OC(C)C.

What is the InChIKey of 2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-(3-chloro-2,2,3-trifluoropropyl)-4-methoxy-1-methylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene?

The InChIKey is RHTZEOUXFSCYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3O.C10H13ClO2.2C10H13ClO.C10H11FO2.2C10H13FO.C10H12O2.2C10H14O2.C10H12O.3C10H14O/c1-7-3-4-9(16-2)5-8(7)6-11(14,15)10(12)13;1-8-3-4-10(9(11)7-8)13-6-5-12-2;1-7(2)12-9-5-4-8(3)10(11)6-9;1-7(2)12-10-5-4-8(3)6-9(10)11;1-7-2-3-10(9(11)4-7)13-8-5-12-6-8;1-7(2)12-9-5-4-8(3)10(11)6-9;1-7(2)12-10-5-4-8(3)6-9(10)11;1-8-4-2-5-9-10(8)12-7-3-6-11-9;1-4-12-9-6-5-8(2)7-10(9)11-3;1-4-12-10-7-8(2)5-6-9(10)11-3;1-8-4-2-5-9-6-3-7-11-10(8)9;1-8(2)11-10-7-5-4-6-9(10)3;1-7(2)9-6-4-5-8(3)10(9)11;1-3-8-11-10-6-4-9(2)5-7-10/h3-5,10H,6H2,1-2H3;3-4,7H,5-6H2,1-2H3;2*4-7H,1-3H3;2-4,8H,5-6H2,1H3;2*4-7H,1-3H3;2,4-5H,3,6-7H2,1H3;2*5-7H,4H2,1-3H3;2,4-5H,3,6-7H2,1H3;4-8H,1-3H3;4-7,11H,1-3H3;4-7H,3,8H2,1-2H3.

What are the key properties of 2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-(3-chloro-2,2,3-trifluoropropyl)-4-methoxy-1-methylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene?

2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-(3-chloro-2,2,3-trifluoropropyl)-4-methoxy-1-methylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene has a molecular weight of 2436.79 g/mol, XLogP of 38.69, 30 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-(3-chloro-2,2,3-trifluoropropyl)-4-methoxy-1-methylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene is sourced from PubChem (CID 160629878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).