2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxy-1-methylbenzene;1-cyclopropyl-2-methoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;1,2-dimethyl-4-propan-2-yloxybenzene;1,3-dimethyl-2-propan-2-yloxybenzene;bis(2,4-dimethyl-1-propan-2-yloxybenzene);2,4-dimethyl-1-propoxybenzene;1-ethylsulfonyl-2,4-dimethylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;1-methyl-4-propan-2-ylsulfonylbenzene;2,2,5-trimethyl-3H-1-benzofuran;2,2,6-trimethyl-3H-1-benzofuran;2,2,7-trimethyl-3H-1-benzofuran;3,3,5-trimethyl-2H-1-benzofuran;2,3,7-trimethyl-2,3-dihydro-1-benzofuran

C192H254Cl2F4O24S2 — CID 158982698

About 2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxy-1-methylbenzene;1-cyclopropyl-2-methoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;1,2-dimethyl-4-propan-2-yloxybenzene;1,3-dimethyl-2-propan-2-yloxybenzene;bis(2,4-dimethyl-1-propan-2-yloxybenzene);2,4-dimethyl-1-propoxybenzene;1-ethylsulfonyl-2,4-dimethylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;1-methyl-4-propan-2-ylsulfonylbenzene;2,2,5-trimethyl-3H-1-benzofuran;2,2,6-trimethyl-3H-1-benzofuran;2,2,7-trimethyl-3H-1-benzofuran;3,3,5-trimethyl-2H-1-benzofuran;2,3,7-trimethyl-2,3-dihydro-1-benzofuran

2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxy-1-methylbenzene;1-cyclopropyl-2-methoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;1,2-dimethyl-4-propan-2-yloxybenzene;1,3-dimethyl-2-propan-2-yloxybenzene;bis(2,4-dimethyl-1-propan-2-yloxybenzene);2,4-dimethyl-1-propoxybenzene;1-ethylsulfonyl-2,4-dimethylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;1-methyl-4-propan-2-ylsulfonylbenzene;2,2,5-trimethyl-3H-1-benzofuran;2,2,6-trimethyl-3H-1-benzofuran;2,2,7-trimethyl-3H-1-benzofuran;3,3,5-trimethyl-2H-1-benzofuran;2,3,7-trimethyl-2,3-dihydro-1-benzofuran (PubChem CID 158982698) has the molecular formula C192H254Cl2F4O24S2 and a molecular weight of 3157.15 g/mol. Its IUPAC name is 2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxy-1-methylbenzene;1-cyclopropyl-2-methoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;1,2-dimethyl-4-propan-2-yloxybenzene;1,3-dimethyl-2-propan-2-yloxybenzene;bis(2,4-dimethyl-1-propan-2-yloxybenzene);2,4-dimethyl-1-propoxybenzene;1-ethylsulfonyl-2,4-dimethylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;1-methyl-4-propan-2-ylsulfonylbenzene;2,2,5-trimethyl-3H-1-benzofuran;2,2,6-trimethyl-3H-1-benzofuran;2,2,7-trimethyl-3H-1-benzofuran;3,3,5-trimethyl-2H-1-benzofuran;2,3,7-trimethyl-2,3-dihydro-1-benzofuran.

Molecular Properties

• Compound Name: 2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxy-1-methylbenzene;1-cyclopropyl-2-methoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;1,2-dimethyl-4-propan-2-yloxybenzene;1,3-dimethyl-2-propan-2-yloxybenzene;bis(2,4-dimethyl-1-propan-2-yloxybenzene);2,4-dimethyl-1-propoxybenzene;1-ethylsulfonyl-2,4-dimethylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;1-methyl-4-propan-2-ylsulfonylbenzene;2,2,5-trimethyl-3H-1-benzofuran;2,2,6-trimethyl-3H-1-benzofuran;2,2,7-trimethyl-3H-1-benzofuran;3,3,5-trimethyl-2H-1-benzofuran;2,3,7-trimethyl-2,3-dihydro-1-benzofuran
• PubChem CID: 158982698
• Molecular Formula: C192H254Cl2F4O24S2
• Molecular Weight: 3157.15 g/mol
• Exact Mass: 3153.74
• IUPAC Name: 2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxy-1-methylbenzene;1-cyclopropyl-2-methoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;1,2-dimethyl-4-propan-2-yloxybenzene;1,3-dimethyl-2-propan-2-yloxybenzene;bis(2,4-dimethyl-1-propan-2-yloxybenzene);2,4-dimethyl-1-propoxybenzene;1-ethylsulfonyl-2,4-dimethylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;1-methyl-4-propan-2-ylsulfonylbenzene;2,2,5-trimethyl-3H-1-benzofuran;2,2,6-trimethyl-3H-1-benzofuran;2,2,7-trimethyl-3H-1-benzofuran;3,3,5-trimethyl-2H-1-benzofuran;2,3,7-trimethyl-2,3-dihydro-1-benzofuran
• SMILES: CCCOc1ccc(C)cc1C.CCS(=O)(=O)c1ccc(C)cc1C.COCCOc1ccc(C)cc1Cl.COc1cc(C)ccc1C1CC1.COc1ccc(C)c(OC(F)(F)C(F)Cl)c1.Cc1ccc(C(C)(C)O)c(C)c1.Cc1ccc(OC(C)C)c(C)c1.Cc1ccc(OC(C)C)c(C)c1.Cc1ccc(OC(C)C)cc1C.Cc1ccc(OC2COC2)c(F)c1.Cc1ccc(S(=O)(=O)C(C)C)cc1.Cc1ccc2c(c1)C(C)(C)CO2.Cc1ccc2c(c1)CC(C)(C)O2.Cc1ccc2c(c1)OC(C)(C)C2.Cc1cccc(C)c1OC(C)C.Cc1cccc2c1OC(C)(C)C2.Cc1cccc2c1OC(C)C2C.Cc1cccc2c1OCCCO2
• InChI: InChI=1S/6C11H14O.6C11H16O.C10H10ClF3O2.C10H13ClO2.C10H11FO2.2C10H14O2S.C10H12O2/c1-8-4-5-10-9(6-8)11(2,3)7-12-10;1-8-4-5-10-9(6-8)7-11(2,3)12-10;1-8-4-5-9-7-11(2,3)12-10(9)6-8;1-8-5-4-6-9-7-11(2,3)12-10(8)9;1-7-5-4-6-10-8(2)9(3)12-11(7)10;1-8-3-6-10(9-4-5-9)11(7-8)12-2;1-8-5-6-10(9(2)7-8)11(3,4)12;1-8(2)12-11-6-5-9(3)10(4)7-11;2*1-8(2)12-11-6-5-9(3)7-10(11)4;1-8(2)12-11-9(3)6-5-7-10(11)4;1-4-7-12-11-6-5-9(2)8-10(11)3;1-6-3-4-7(15-2)5-8(6)16-10(13,14)9(11)12;1-8-3-4-10(9(11)7-8)13-6-5-12-2;1-7-2-3-10(9(11)4-7)13-8-5-12-6-8;1-8(2)13(11,12)10-6-4-9(3)5-7-10;1-4-13(11,12)10-6-5-8(2)7-9(10)3;1-8-4-2-5-9-10(8)12-7-3-6-11-9/h4*4-6H,7H2,1-3H3;4-6,8-9H,1-3H3;3,6-7,9H,4-5H2,1-2H3;5-7,12H,1-4H3;4*5-8H,1-4H3;5-6,8H,4,7H2,1-3H3;3-5,9H,1-2H3;3-4,7H,5-6H2,1-2H3;2-4,8H,5-6H2,1H3;4-8H,1-3H3;5-7H,4H2,1-3H3;2,4-5H,3,6-7H2,1H3
• InChIKey: JPEXFGVACSIKJD-UHFFFAOYSA-N
• XLogP: 49.06
• TPSA: 263.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3157.15
LogP ≤ 5	49.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

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-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxy-1-methylbenzene;1-cyclopropyl-2-methoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;1,2-dimethyl-4-propan-2-yloxybenzene;1,3-dimethyl-2-propan-2-yloxybenzene;bis(2,4-dimethyl-1-propan-2-yloxybenzene);2,4-dimethyl-1-propoxybenzene;1-ethylsulfonyl-2,4-dimethylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;1-methyl-4-propan-2-ylsulfonylbenzene;2,2,5-trimethyl-3H-1-benzofuran;2,2,6-trimethyl-3H-1-benzofuran;2,2,7-trimethyl-3H-1-benzofuran;3,3,5-trimethyl-2H-1-benzofuran;2,3,7-trimethyl-2,3-dihydro-1-benzofuran?

The IUPAC name of 2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxy-1-methylbenzene;1-cyclopropyl-2-methoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;1,2-dimethyl-4-propan-2-yloxybenzene;1,3-dimethyl-2-propan-2-yloxybenzene;bis(2,4-dimethyl-1-propan-2-yloxybenzene);2,4-dimethyl-1-propoxybenzene;1-ethylsulfonyl-2,4-dimethylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;1-methyl-4-propan-2-ylsulfonylbenzene;2,2,5-trimethyl-3H-1-benzofuran;2,2,6-trimethyl-3H-1-benzofuran;2,2,7-trimethyl-3H-1-benzofuran;3,3,5-trimethyl-2H-1-benzofuran;2,3,7-trimethyl-2,3-dihydro-1-benzofuran (CID 158982698) is 2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxy-1-methylbenzene;1-cyclopropyl-2-methoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;1,2-dimethyl-4-propan-2-yloxybenzene;1,3-dimethyl-2-propan-2-yloxybenzene;bis(2,4-dimethyl-1-propan-2-yloxybenzene);2,4-dimethyl-1-propoxybenzene;1-ethylsulfonyl-2,4-dimethylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;1-methyl-4-propan-2-ylsulfonylbenzene;2,2,5-trimethyl-3H-1-benzofuran;2,2,6-trimethyl-3H-1-benzofuran;2,2,7-trimethyl-3H-1-benzofuran;3,3,5-trimethyl-2H-1-benzofuran;2,3,7-trimethyl-2,3-dihydro-1-benzofuran.

What is the SMILES notation for 2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxy-1-methylbenzene;1-cyclopropyl-2-methoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;1,2-dimethyl-4-propan-2-yloxybenzene;1,3-dimethyl-2-propan-2-yloxybenzene;bis(2,4-dimethyl-1-propan-2-yloxybenzene);2,4-dimethyl-1-propoxybenzene;1-ethylsulfonyl-2,4-dimethylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;1-methyl-4-propan-2-ylsulfonylbenzene;2,2,5-trimethyl-3H-1-benzofuran;2,2,6-trimethyl-3H-1-benzofuran;2,2,7-trimethyl-3H-1-benzofuran;3,3,5-trimethyl-2H-1-benzofuran;2,3,7-trimethyl-2,3-dihydro-1-benzofuran?

The canonical SMILES for 2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxy-1-methylbenzene;1-cyclopropyl-2-methoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;1,2-dimethyl-4-propan-2-yloxybenzene;1,3-dimethyl-2-propan-2-yloxybenzene;bis(2,4-dimethyl-1-propan-2-yloxybenzene);2,4-dimethyl-1-propoxybenzene;1-ethylsulfonyl-2,4-dimethylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;1-methyl-4-propan-2-ylsulfonylbenzene;2,2,5-trimethyl-3H-1-benzofuran;2,2,6-trimethyl-3H-1-benzofuran;2,2,7-trimethyl-3H-1-benzofuran;3,3,5-trimethyl-2H-1-benzofuran;2,3,7-trimethyl-2,3-dihydro-1-benzofuran is CCCOc1ccc(C)cc1C.CCS(=O)(=O)c1ccc(C)cc1C.COCCOc1ccc(C)cc1Cl.COc1cc(C)ccc1C1CC1.COc1ccc(C)c(OC(F)(F)C(F)Cl)c1.Cc1ccc(C(C)(C)O)c(C)c1.Cc1ccc(OC(C)C)c(C)c1.Cc1ccc(OC(C)C)c(C)c1.Cc1ccc(OC(C)C)cc1C.Cc1ccc(OC2COC2)c(F)c1.Cc1ccc(S(=O)(=O)C(C)C)cc1.Cc1ccc2c(c1)C(C)(C)CO2.Cc1ccc2c(c1)CC(C)(C)O2.Cc1ccc2c(c1)OC(C)(C)C2.Cc1cccc(C)c1OC(C)C.Cc1cccc2c1OC(C)(C)C2.Cc1cccc2c1OC(C)C2C.Cc1cccc2c1OCCCO2.

What is the InChIKey of 2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxy-1-methylbenzene;1-cyclopropyl-2-methoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;1,2-dimethyl-4-propan-2-yloxybenzene;1,3-dimethyl-2-propan-2-yloxybenzene;bis(2,4-dimethyl-1-propan-2-yloxybenzene);2,4-dimethyl-1-propoxybenzene;1-ethylsulfonyl-2,4-dimethylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;1-methyl-4-propan-2-ylsulfonylbenzene;2,2,5-trimethyl-3H-1-benzofuran;2,2,6-trimethyl-3H-1-benzofuran;2,2,7-trimethyl-3H-1-benzofuran;3,3,5-trimethyl-2H-1-benzofuran;2,3,7-trimethyl-2,3-dihydro-1-benzofuran?

The InChIKey is JPEXFGVACSIKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/6C11H14O.6C11H16O.C10H10ClF3O2.C10H13ClO2.C10H11FO2.2C10H14O2S.C10H12O2/c1-8-4-5-10-9(6-8)11(2,3)7-12-10;1-8-4-5-10-9(6-8)7-11(2,3)12-10;1-8-4-5-9-7-11(2,3)12-10(9)6-8;1-8-5-4-6-9-7-11(2,3)12-10(8)9;1-7-5-4-6-10-8(2)9(3)12-11(7)10;1-8-3-6-10(9-4-5-9)11(7-8)12-2;1-8-5-6-10(9(2)7-8)11(3,4)12;1-8(2)12-11-6-5-9(3)10(4)7-11;2*1-8(2)12-11-6-5-9(3)7-10(11)4;1-8(2)12-11-9(3)6-5-7-10(11)4;1-4-7-12-11-6-5-9(2)8-10(11)3;1-6-3-4-7(15-2)5-8(6)16-10(13,14)9(11)12;1-8-3-4-10(9(11)7-8)13-6-5-12-2;1-7-2-3-10(9(11)4-7)13-8-5-12-6-8;1-8(2)13(11,12)10-6-4-9(3)5-7-10;1-4-13(11,12)10-6-5-8(2)7-9(10)3;1-8-4-2-5-9-10(8)12-7-3-6-11-9/h4*4-6H,7H2,1-3H3;4-6,8-9H,1-3H3;3,6-7,9H,4-5H2,1-2H3;5-7,12H,1-4H3;4*5-8H,1-4H3;5-6,8H,4,7H2,1-3H3;3-5,9H,1-2H3;3-4,7H,5-6H2,1-2H3;2-4,8H,5-6H2,1H3;4-8H,1-3H3;5-7H,4H2,1-3H3;2,4-5H,3,6-7H2,1H3.

What are the key properties of 2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxy-1-methylbenzene;1-cyclopropyl-2-methoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;1,2-dimethyl-4-propan-2-yloxybenzene;1,3-dimethyl-2-propan-2-yloxybenzene;bis(2,4-dimethyl-1-propan-2-yloxybenzene);2,4-dimethyl-1-propoxybenzene;1-ethylsulfonyl-2,4-dimethylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;1-methyl-4-propan-2-ylsulfonylbenzene;2,2,5-trimethyl-3H-1-benzofuran;2,2,6-trimethyl-3H-1-benzofuran;2,2,7-trimethyl-3H-1-benzofuran;3,3,5-trimethyl-2H-1-benzofuran;2,3,7-trimethyl-2,3-dihydro-1-benzofuran?

2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxy-1-methylbenzene;1-cyclopropyl-2-methoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;1,2-dimethyl-4-propan-2-yloxybenzene;1,3-dimethyl-2-propan-2-yloxybenzene;bis(2,4-dimethyl-1-propan-2-yloxybenzene);2,4-dimethyl-1-propoxybenzene;1-ethylsulfonyl-2,4-dimethylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;1-methyl-4-propan-2-ylsulfonylbenzene;2,2,5-trimethyl-3H-1-benzofuran;2,2,6-trimethyl-3H-1-benzofuran;2,2,7-trimethyl-3H-1-benzofuran;3,3,5-trimethyl-2H-1-benzofuran;2,3,7-trimethyl-2,3-dihydro-1-benzofuran has a molecular weight of 3157.15 g/mol, XLogP of 49.06, 28 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxy-1-methylbenzene;1-cyclopropyl-2-methoxy-4-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;1,2-dimethyl-4-propan-2-yloxybenzene;1,3-dimethyl-2-propan-2-yloxybenzene;bis(2,4-dimethyl-1-propan-2-yloxybenzene);2,4-dimethyl-1-propoxybenzene;1-ethylsulfonyl-2,4-dimethylbenzene;3-(2-fluoro-4-methylphenoxy)oxetane;6-methyl-3,4-dihydro-2H-1,5-benzodioxepine;1-methyl-4-propan-2-ylsulfonylbenzene;2,2,5-trimethyl-3H-1-benzofuran;2,2,6-trimethyl-3H-1-benzofuran;2,2,7-trimethyl-3H-1-benzofuran;3,3,5-trimethyl-2H-1-benzofuran;2,3,7-trimethyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 158982698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).