2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1-methylsulfonylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;1-ethyl-2-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;2-methoxy-1-methyl-4-methylsulfonylbenzene;4-methoxy-1-methyl-2-(trifluoromethoxy)benzene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene

C177H232Cl2F6O26S2 — CID 159868843

About 2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1-methylsulfonylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;1-ethyl-2-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;2-methoxy-1-methyl-4-methylsulfonylbenzene;4-methoxy-1-methyl-2-(trifluoromethoxy)benzene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene

2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1-methylsulfonylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;1-ethyl-2-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;2-methoxy-1-methyl-4-methylsulfonylbenzene;4-methoxy-1-methyl-2-(trifluoromethoxy)benzene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene (PubChem CID 159868843) has the molecular formula C177H232Cl2F6O26S2 and a molecular weight of 3024.80 g/mol. Its IUPAC name is 2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1-methylsulfonylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;1-ethyl-2-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;2-methoxy-1-methyl-4-methylsulfonylbenzene;4-methoxy-1-methyl-2-(trifluoromethoxy)benzene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene.

Molecular Properties

• Compound Name: 2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1-methylsulfonylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;1-ethyl-2-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;2-methoxy-1-methyl-4-methylsulfonylbenzene;4-methoxy-1-methyl-2-(trifluoromethoxy)benzene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene
• PubChem CID: 159868843
• Molecular Formula: C177H232Cl2F6O26S2
• Molecular Weight: 3024.80 g/mol
• Exact Mass: 3021.56
• IUPAC Name: 2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1-methylsulfonylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;1-ethyl-2-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;2-methoxy-1-methyl-4-methylsulfonylbenzene;4-methoxy-1-methyl-2-(trifluoromethoxy)benzene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene
• SMILES: CCCOc1ccc(C)cc1.CCOc1cc(C)ccc1OC.CCOc1ccc(C)cc1OC.CCc1ccc(C)cc1OC.COc1c(C)cc(C)cc1C.COc1cc(S(C)(=O)=O)ccc1C.COc1ccc(C)c(OC(F)(F)F)c1.Cc1ccc(OC(C)C)c(Cl)c1.Cc1ccc(OC(C)C)c(F)c1.Cc1ccc(OC(C)C)cc1.Cc1ccc(OC(C)C)cc1Cl.Cc1ccc(OC(C)C)cc1F.Cc1ccc(OC2COC2)c(F)c1.Cc1ccc(S(C)(=O)=O)c(C)c1.Cc1cccc(C(C)C)c1O.Cc1cccc2c1OCCC2.Cc1cccc2c1OCCCO2.Cc1ccccc1OC(C)C
• InChI: InChI=1S/2C10H13ClO.C10H11FO2.2C10H13FO.C10H12O2.2C10H14O2.C10H12O.6C10H14O.C9H9F3O2.C9H12O3S.C9H12O2S/c1-7(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;1-7-5-8(2)10(11-4)9(3)6-7;1-8(2)11-10-6-4-9(3)5-7-10;1-8(2)11-10-7-5-4-6-9(10)3;1-7(2)9-6-4-5-8(3)10(9)11;1-4-9-6-5-8(2)7-10(9)11-3;1-3-8-11-10-6-4-9(2)5-7-10;1-6-3-4-7(13-2)5-8(6)14-9(10,11)12;1-7-4-5-8(13(3,10)11)6-9(7)12-2;1-7-4-5-9(8(2)6-7)12(3,10)11/h2*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;5-6H,1-4H3;2*4-8H,1-3H3;4-7,11H,1-3H3;5-7H,4H2,1-3H3;4-7H,3,8H2,1-2H3;3-5H,1-2H3;4-6H,1-3H3;4-6H,1-3H3
• InChIKey: NSBPDRPLRQOYQA-UHFFFAOYSA-N
• XLogP: 46.28
• TPSA: 282.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 32
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3024.80
LogP ≤ 5	46.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1-methylsulfonylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;1-ethyl-2-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;2-methoxy-1-methyl-4-methylsulfonylbenzene;4-methoxy-1-methyl-2-(trifluoromethoxy)benzene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene?

The IUPAC name of 2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1-methylsulfonylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;1-ethyl-2-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;2-methoxy-1-methyl-4-methylsulfonylbenzene;4-methoxy-1-methyl-2-(trifluoromethoxy)benzene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene (CID 159868843) is 2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1-methylsulfonylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;1-ethyl-2-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;2-methoxy-1-methyl-4-methylsulfonylbenzene;4-methoxy-1-methyl-2-(trifluoromethoxy)benzene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene.

What is the SMILES notation for 2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1-methylsulfonylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;1-ethyl-2-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;2-methoxy-1-methyl-4-methylsulfonylbenzene;4-methoxy-1-methyl-2-(trifluoromethoxy)benzene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene?

The canonical SMILES for 2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1-methylsulfonylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;1-ethyl-2-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;2-methoxy-1-methyl-4-methylsulfonylbenzene;4-methoxy-1-methyl-2-(trifluoromethoxy)benzene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene is CCCOc1ccc(C)cc1.CCOc1cc(C)ccc1OC.CCOc1ccc(C)cc1OC.CCc1ccc(C)cc1OC.COc1c(C)cc(C)cc1C.COc1cc(S(C)(=O)=O)ccc1C.COc1ccc(C)c(OC(F)(F)F)c1.Cc1ccc(OC(C)C)c(Cl)c1.Cc1ccc(OC(C)C)c(F)c1.Cc1ccc(OC(C)C)cc1.Cc1ccc(OC(C)C)cc1Cl.Cc1ccc(OC(C)C)cc1F.Cc1ccc(OC2COC2)c(F)c1.Cc1ccc(S(C)(=O)=O)c(C)c1.Cc1cccc(C(C)C)c1O.Cc1cccc2c1OCCC2.Cc1cccc2c1OCCCO2.Cc1ccccc1OC(C)C.

What is the InChIKey of 2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1-methylsulfonylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;1-ethyl-2-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;2-methoxy-1-methyl-4-methylsulfonylbenzene;4-methoxy-1-methyl-2-(trifluoromethoxy)benzene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene?

The InChIKey is NSBPDRPLRQOYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H13ClO.C10H11FO2.2C10H13FO.C10H12O2.2C10H14O2.C10H12O.6C10H14O.C9H9F3O2.C9H12O3S.C9H12O2S/c1-7(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;1-7-5-8(2)10(11-4)9(3)6-7;1-8(2)11-10-6-4-9(3)5-7-10;1-8(2)11-10-7-5-4-6-9(10)3;1-7(2)9-6-4-5-8(3)10(9)11;1-4-9-6-5-8(2)7-10(9)11-3;1-3-8-11-10-6-4-9(2)5-7-10;1-6-3-4-7(13-2)5-8(6)14-9(10,11)12;1-7-4-5-8(13(3,10)11)6-9(7)12-2;1-7-4-5-9(8(2)6-7)12(3,10)11/h2*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;5-6H,1-4H3;2*4-8H,1-3H3;4-7,11H,1-3H3;5-7H,4H2,1-3H3;4-7H,3,8H2,1-2H3;3-5H,1-2H3;4-6H,1-3H3;4-6H,1-3H3.

What are the key properties of 2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1-methylsulfonylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;1-ethyl-2-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;2-methoxy-1-methyl-4-methylsulfonylbenzene;4-methoxy-1-methyl-2-(trifluoromethoxy)benzene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene?

2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1-methylsulfonylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;1-ethyl-2-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;2-methoxy-1-methyl-4-methylsulfonylbenzene;4-methoxy-1-methyl-2-(trifluoromethoxy)benzene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene has a molecular weight of 3024.80 g/mol, XLogP of 46.28, 32 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1-methylsulfonylbenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;1-ethyl-2-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;2-methoxy-1-methyl-4-methylsulfonylbenzene;4-methoxy-1-methyl-2-(trifluoromethoxy)benzene;2-methoxy-1,3,5-trimethylbenzene;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propoxybenzene is sourced from PubChem (CID 159868843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).