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;1-methyl-4-propan-2-ylsulfonylbenzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran;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

C194H258Cl2F6O22S2 — CID 157342575

IUPAC2-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;1-methyl-4-propan-2-ylsulfonylbenzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran;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
SMILESCCCOc1ccc(C)cc1C.CCCOc1ccc(C)cc1C(F)(F)F.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(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.Cc1cccc2c1CC(C)(C)O2.Cc1cccc2c1OC(C)(C)C2.Cc1cccc2c1OC(C)C2C
InChIInChI=1S/C11H13F3O.7C11H14O.6C11H16O.C10H10ClF3O2.C10H13ClO2.2C10H14O2S/c1-3-6-15-10-5-4-8(2)7-9(10)11(12,13)14;1-8-4-5-10-9(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;1-8-5-4-6-10-9(8)7-11(2,3)12-10;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;1-8(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/h4-5,7H,3,6H2,1-2H3;5*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;4-8H,1-3H3;5-7H,4H2,1-3H3
InChIKeyBGONBLPWCBZUPD-UHFFFAOYSA-N
MW3191.20 g/mol
LogP51.51
Rot. Bonds29

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;1-methyl-4-propan-2-ylsulfonylbenzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran;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;1-methyl-4-propan-2-ylsulfonylbenzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran;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 157342575) has the molecular formula C194H258Cl2F6O22S2 and a molecular weight of 3191.20 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;1-methyl-4-propan-2-ylsulfonylbenzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran;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 Name2-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;1-methyl-4-propan-2-ylsulfonylbenzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran;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 CID157342575
Molecular FormulaC194H258Cl2F6O22S2
Molecular Weight3191.20 g/mol
Exact Mass3187.78
IUPAC Name2-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;1-methyl-4-propan-2-ylsulfonylbenzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran;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
SMILESCCCOc1ccc(C)cc1C.CCCOc1ccc(C)cc1C(F)(F)F.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(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.Cc1cccc2c1CC(C)(C)O2.Cc1cccc2c1OC(C)(C)C2.Cc1cccc2c1OC(C)C2C
InChIInChI=1S/C11H13F3O.7C11H14O.6C11H16O.C10H10ClF3O2.C10H13ClO2.2C10H14O2S/c1-3-6-15-10-5-4-8(2)7-9(10)11(12,13)14;1-8-4-5-10-9(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;1-8-5-4-6-10-9(8)7-11(2,3)12-10;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;1-8(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/h4-5,7H,3,6H2,1-2H3;5*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;4-8H,1-3H3;5-7H,4H2,1-3H3
InChIKeyBGONBLPWCBZUPD-UHFFFAOYSA-N
XLogP51.51
TPSA245.42 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds29
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003191.20
LogP ≤ 551.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 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;1-methyl-4-propan-2-ylsulfonylbenzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran;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 with MolForge

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Related Compounds

2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxy-1-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;1,2-dimethyl-4-propan-2-yloxybenzene;bis(2,4-dimethyl-1-propan-2-yloxybenzene);2,4-dimethyl-1-propoxybenzene;1-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;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
CID 157453794
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;1-methyl-4-propan-2-ylsulfonylbenzene;2,2,4-trimethyl-3H-1-benzofuran;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 157606790
1-butyl-4-methyl-2-(trifluoromethyl)benzene;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;1-methyl-4-propan-2-ylsulfonylbenzene;2,2,4-trimethyl-3H-1-benzofuran;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 158478318
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
2-chloro-1-(2-methoxyethoxy)-4-methylbenzene;2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxy-1-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-ethoxy-2-methoxy-4-methylbenzene;2-ethoxy-1-methoxy-4-methylbenzene;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;2,2,6-trimethyl-3H-1-benzofuran;2,2,7-trimethyl-3H-1-benzofuran;3,3,5-trimethyl-2H-1-benzofuran
CID 159417133

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;1-methyl-4-propan-2-ylsulfonylbenzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran;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;1-methyl-4-propan-2-ylsulfonylbenzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran;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 157342575) 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;1-methyl-4-propan-2-ylsulfonylbenzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran;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;1-methyl-4-propan-2-ylsulfonylbenzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran;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;1-methyl-4-propan-2-ylsulfonylbenzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran;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.CCCOc1ccc(C)cc1C(F)(F)F.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(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.Cc1cccc2c1CC(C)(C)O2.Cc1cccc2c1OC(C)(C)C2.Cc1cccc2c1OC(C)C2C.
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;1-methyl-4-propan-2-ylsulfonylbenzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran;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 BGONBLPWCBZUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O.7C11H14O.6C11H16O.C10H10ClF3O2.C10H13ClO2.2C10H14O2S/c1-3-6-15-10-5-4-8(2)7-9(10)11(12,13)14;1-8-4-5-10-9(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;1-8-5-4-6-10-9(8)7-11(2,3)12-10;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;1-8(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/h4-5,7H,3,6H2,1-2H3;5*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;4-8H,1-3H3;5-7H,4H2,1-3H3.
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;1-methyl-4-propan-2-ylsulfonylbenzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran;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;1-methyl-4-propan-2-ylsulfonylbenzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran;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 3191.20 g/mol, XLogP of 51.51, 29 rotatable bonds, 1 hydrogen bond donors, and 22 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;1-methyl-4-propan-2-ylsulfonylbenzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene;2,2,4-trimethyl-3H-1-benzofuran;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 157342575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).