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

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).