2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2,4-dimethylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylnaphthalen-2-ol;1-methyl-3-propoxybenzene;5-methylpyrimidine;N,N,3-trimethylaniline;3,4,5-trimethyl-1,2-oxazole
C192H240Cl3F3N12O18S2 — CID 159921584
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2,4-dimethylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylnaphthalen-2-ol;1-methyl-3-propoxybenzene;5-methylpyrimidine;N,N,3-trimethylaniline;3,4,5-trimethyl-1,2-oxazole
SMILESCCCOc1cccc(C)c1.CCOc1ccc(C)cc1.CCOc1ccc(C)cc1C.CCOc1cccc(C)c1.COCc1cccc(C)c1.COc1c(C)cc(C)cc1C.COc1ccc(C)cc1Cl.COc1ccc2cc(C)ccc2c1.COc1ncc(C)c(OC)n1.COc1ncc(C)cn1.Cc1cc(OC(C)C)ccc1F.Cc1cc2ccccc2s1.Cc1ccc(Cl)s1.Cc1ccc(F)nc1.Cc1ccc(OC(C)C)c(Cl)c1.Cc1ccc(OC(C)C)c(F)c1.Cc1ccc2c(c1)OCCO2.Cc1ccc2cc(O)ccc2c1.Cc1cccc(N(C)C)c1.Cc1ccnc(C)c1.Cc1cncnc1.Cc1cnn(C)c1.Cc1noc(C)c1C
InChIInChI=1S/C12H12O.C11H10O.C10H13ClO.2C10H13FO.3C10H14O.C9H13N.C9H10O2.3C9H12O.C9H8S.C8H9ClO.C7H10N2O2.C7H9N.C6H6FN.C6H8N2O.C6H9NO.C5H5ClS.C5H8N2.C5H6N2/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-7(2)12-10-5-4-8(3)6-9(10)11;1-7(2)12-9-4-5-10(11)8(3)6-9;1-7(2)12-10-5-4-8(3)6-9(10)11;1-7-5-8(2)10(11-4)9(3)6-7;1-4-11-10-6-5-8(2)7-9(10)3;1-3-7-11-10-6-4-5-9(2)8-10;1-8-5-4-6-9(7-8)10(2)3;1-7-2-3-8-9(6-7)11-5-4-10-8;1-8-4-3-5-9(6-8)7-10-2;1-3-10-9-6-4-8(2)5-7-9;1-3-10-9-6-4-5-8(2)7-9;1-7-6-8-4-2-3-5-9(8)10-7;1-6-3-4-8(10-2)7(9)5-6;1-5-4-8-7(11-3)9-6(5)10-2;1-6-3-4-8-7(2)5-6;1-5-2-3-6(7)8-4-5;1-5-3-7-6(9-2)8-4-5;1-4-5(2)7-8-6(4)3;1-4-2-3-5(6)7-4;1-5-3-6-7(2)4-5;1-5-2-6-4-7-3-5/h3-8H,1-2H3;2-7,12H,1H3;3*4-7H,1-3H3;5-6H,1-4H3;5-7H,4H2,1-3H3;4-6,8H,3,7H2,1-2H3;4-7H,1-3H3;2-3,6H,4-5H2,1H3;3-6H,7H2,1-2H3;2*4-7H,3H2,1-2H3;2-6H,1H3;3-5H,1-2H3;4H,1-3H3;3-5H,1-2H3;2-4H,1H3;3-4H,1-2H3;1-3H3;2-3H,1H3;3-4H,1-2H3;2-4H,1H3
InChIKeyNYLULOHQOUREKG-UHFFFAOYSA-N
MW3231.58 g/mol
LogP50.66
Rot. Bonds24
About 2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2,4-dimethylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylnaphthalen-2-ol;1-methyl-3-propoxybenzene;5-methylpyrimidine;N,N,3-trimethylaniline;3,4,5-trimethyl-1,2-oxazole
2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2,4-dimethylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylnaphthalen-2-ol;1-methyl-3-propoxybenzene;5-methylpyrimidine;N,N,3-trimethylaniline;3,4,5-trimethyl-1,2-oxazole (PubChem CID 159921584) has the molecular formula C192H240Cl3F3N12O18S2 and a molecular weight of 3231.58 g/mol. Its IUPAC name is 2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2,4-dimethylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylnaphthalen-2-ol;1-methyl-3-propoxybenzene;5-methylpyrimidine;N,N,3-trimethylaniline;3,4,5-trimethyl-1,2-oxazole.
Molecular Properties
| Compound Name | 2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2,4-dimethylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylnaphthalen-2-ol;1-methyl-3-propoxybenzene;5-methylpyrimidine;N,N,3-trimethylaniline;3,4,5-trimethyl-1,2-oxazole |
|---|---|
| PubChem CID | 159921584 |
| Molecular Formula | C192H240Cl3F3N12O18S2 |
| Molecular Weight | 3231.58 g/mol |
| Exact Mass | 3227.67 |
| IUPAC Name | 2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2,4-dimethylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylnaphthalen-2-ol;1-methyl-3-propoxybenzene;5-methylpyrimidine;N,N,3-trimethylaniline;3,4,5-trimethyl-1,2-oxazole |
| SMILES | CCCOc1cccc(C)c1.CCOc1ccc(C)cc1.CCOc1ccc(C)cc1C.CCOc1cccc(C)c1.COCc1cccc(C)c1.COc1c(C)cc(C)cc1C.COc1ccc(C)cc1Cl.COc1ccc2cc(C)ccc2c1.COc1ncc(C)c(OC)n1.COc1ncc(C)cn1.Cc1cc(OC(C)C)ccc1F.Cc1cc2ccccc2s1.Cc1ccc(Cl)s1.Cc1ccc(F)nc1.Cc1ccc(OC(C)C)c(Cl)c1.Cc1ccc(OC(C)C)c(F)c1.Cc1ccc2c(c1)OCCO2.Cc1ccc2cc(O)ccc2c1.Cc1cccc(N(C)C)c1.Cc1ccnc(C)c1.Cc1cncnc1.Cc1cnn(C)c1.Cc1noc(C)c1C |
| InChI | InChI=1S/C12H12O.C11H10O.C10H13ClO.2C10H13FO.3C10H14O.C9H13N.C9H10O2.3C9H12O.C9H8S.C8H9ClO.C7H10N2O2.C7H9N.C6H6FN.C6H8N2O.C6H9NO.C5H5ClS.C5H8N2.C5H6N2/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-7(2)12-10-5-4-8(3)6-9(10)11;1-7(2)12-9-4-5-10(11)8(3)6-9;1-7(2)12-10-5-4-8(3)6-9(10)11;1-7-5-8(2)10(11-4)9(3)6-7;1-4-11-10-6-5-8(2)7-9(10)3;1-3-7-11-10-6-4-5-9(2)8-10;1-8-5-4-6-9(7-8)10(2)3;1-7-2-3-8-9(6-7)11-5-4-10-8;1-8-4-3-5-9(6-8)7-10-2;1-3-10-9-6-4-8(2)5-7-9;1-3-10-9-6-4-5-8(2)7-9;1-7-6-8-4-2-3-5-9(8)10-7;1-6-3-4-8(10-2)7(9)5-6;1-5-4-8-7(11-3)9-6(5)10-2;1-6-3-4-8-7(2)5-6;1-5-2-3-6(7)8-4-5;1-5-3-7-6(9-2)8-4-5;1-4-5(2)7-8-6(4)3;1-4-2-3-5(6)7-4;1-5-3-6-7(2)4-5;1-5-2-6-4-7-3-5/h3-8H,1-2H3;2-7,12H,1H3;3*4-7H,1-3H3;5-6H,1-4H3;5-7H,4H2,1-3H3;4-6,8H,3,7H2,1-2H3;4-7H,1-3H3;2-3,6H,4-5H2,1H3;3-6H,7H2,1-2H3;2*4-7H,3H2,1-2H3;2-6H,1H3;3-5H,1-2H3;4H,1-3H3;3-5H,1-2H3;2-4H,1H3;3-4H,1-2H3;1-3H3;2-3H,1H3;3-4H,1-2H3;2-4H,1H3 |
| InChIKey | NYLULOHQOUREKG-UHFFFAOYSA-N |
| XLogP | 50.66 |
| TPSA | 318.12 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 230 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3231.58 |
| LogP ≤ 5 | 50.66 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 32 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2,4-dimethylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylnaphthalen-2-ol;1-methyl-3-propoxybenzene;5-methylpyrimidine;N,N,3-trimethylaniline;3,4,5-trimethyl-1,2-oxazole?
The IUPAC name of 2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2,4-dimethylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylnaphthalen-2-ol;1-methyl-3-propoxybenzene;5-methylpyrimidine;N,N,3-trimethylaniline;3,4,5-trimethyl-1,2-oxazole (CID 159921584) is 2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2,4-dimethylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylnaphthalen-2-ol;1-methyl-3-propoxybenzene;5-methylpyrimidine;N,N,3-trimethylaniline;3,4,5-trimethyl-1,2-oxazole.
What is the SMILES notation for 2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2,4-dimethylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylnaphthalen-2-ol;1-methyl-3-propoxybenzene;5-methylpyrimidine;N,N,3-trimethylaniline;3,4,5-trimethyl-1,2-oxazole?
The canonical SMILES for 2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2,4-dimethylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylnaphthalen-2-ol;1-methyl-3-propoxybenzene;5-methylpyrimidine;N,N,3-trimethylaniline;3,4,5-trimethyl-1,2-oxazole is CCCOc1cccc(C)c1.CCOc1ccc(C)cc1.CCOc1ccc(C)cc1C.CCOc1cccc(C)c1.COCc1cccc(C)c1.COc1c(C)cc(C)cc1C.COc1ccc(C)cc1Cl.COc1ccc2cc(C)ccc2c1.COc1ncc(C)c(OC)n1.COc1ncc(C)cn1.Cc1cc(OC(C)C)ccc1F.Cc1cc2ccccc2s1.Cc1ccc(Cl)s1.Cc1ccc(F)nc1.Cc1ccc(OC(C)C)c(Cl)c1.Cc1ccc(OC(C)C)c(F)c1.Cc1ccc2c(c1)OCCO2.Cc1ccc2cc(O)ccc2c1.Cc1cccc(N(C)C)c1.Cc1ccnc(C)c1.Cc1cncnc1.Cc1cnn(C)c1.Cc1noc(C)c1C.
What is the InChIKey of 2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2,4-dimethylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylnaphthalen-2-ol;1-methyl-3-propoxybenzene;5-methylpyrimidine;N,N,3-trimethylaniline;3,4,5-trimethyl-1,2-oxazole?
The InChIKey is NYLULOHQOUREKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O.C11H10O.C10H13ClO.2C10H13FO.3C10H14O.C9H13N.C9H10O2.3C9H12O.C9H8S.C8H9ClO.C7H10N2O2.C7H9N.C6H6FN.C6H8N2O.C6H9NO.C5H5ClS.C5H8N2.C5H6N2/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-7(2)12-10-5-4-8(3)6-9(10)11;1-7(2)12-9-4-5-10(11)8(3)6-9;1-7(2)12-10-5-4-8(3)6-9(10)11;1-7-5-8(2)10(11-4)9(3)6-7;1-4-11-10-6-5-8(2)7-9(10)3;1-3-7-11-10-6-4-5-9(2)8-10;1-8-5-4-6-9(7-8)10(2)3;1-7-2-3-8-9(6-7)11-5-4-10-8;1-8-4-3-5-9(6-8)7-10-2;1-3-10-9-6-4-8(2)5-7-9;1-3-10-9-6-4-5-8(2)7-9;1-7-6-8-4-2-3-5-9(8)10-7;1-6-3-4-8(10-2)7(9)5-6;1-5-4-8-7(11-3)9-6(5)10-2;1-6-3-4-8-7(2)5-6;1-5-2-3-6(7)8-4-5;1-5-3-7-6(9-2)8-4-5;1-4-5(2)7-8-6(4)3;1-4-2-3-5(6)7-4;1-5-3-6-7(2)4-5;1-5-2-6-4-7-3-5/h3-8H,1-2H3;2-7,12H,1H3;3*4-7H,1-3H3;5-6H,1-4H3;5-7H,4H2,1-3H3;4-6,8H,3,7H2,1-2H3;4-7H,1-3H3;2-3,6H,4-5H2,1H3;3-6H,7H2,1-2H3;2*4-7H,3H2,1-2H3;2-6H,1H3;3-5H,1-2H3;4H,1-3H3;3-5H,1-2H3;2-4H,1H3;3-4H,1-2H3;1-3H3;2-3H,1H3;3-4H,1-2H3;2-4H,1H3.
What are the key properties of 2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2,4-dimethylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylnaphthalen-2-ol;1-methyl-3-propoxybenzene;5-methylpyrimidine;N,N,3-trimethylaniline;3,4,5-trimethyl-1,2-oxazole?
2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2,4-dimethylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylnaphthalen-2-ol;1-methyl-3-propoxybenzene;5-methylpyrimidine;N,N,3-trimethylaniline;3,4,5-trimethyl-1,2-oxazole has a molecular weight of 3231.58 g/mol, XLogP of 50.66, 24 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methoxy-4-methylbenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2,4-dimethylbenzene;1-ethoxy-3-methylbenzene;1-ethoxy-4-methylbenzene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylnaphthalen-2-ol;1-methyl-3-propoxybenzene;5-methylpyrimidine;N,N,3-trimethylaniline;3,4,5-trimethyl-1,2-oxazole is sourced from PubChem (CID 159921584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159921584 — identifiers, structure, computed properties (public domain)
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