2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-4-methylbenzene;2-ethoxy-6-methylnaphthalene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;bis(2-methoxy-6-methylnaphthalene);2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;N,N,3-trimethylaniline;1,3,6-trimethylindazole;2,3,6-trimethylindazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine

C213H257Cl2F2N17O15S3 — CID 162061200

About 2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-4-methylbenzene;2-ethoxy-6-methylnaphthalene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;bis(2-methoxy-6-methylnaphthalene);2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;N,N,3-trimethylaniline;1,3,6-trimethylindazole;2,3,6-trimethylindazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine

2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-4-methylbenzene;2-ethoxy-6-methylnaphthalene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;bis(2-methoxy-6-methylnaphthalene);2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;N,N,3-trimethylaniline;1,3,6-trimethylindazole;2,3,6-trimethylindazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine (PubChem CID 162061200) has the molecular formula C213H257Cl2F2N17O15S3 and a molecular weight of 3500.61 g/mol. Its IUPAC name is 2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-4-methylbenzene;2-ethoxy-6-methylnaphthalene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;bis(2-methoxy-6-methylnaphthalene);2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;N,N,3-trimethylaniline;1,3,6-trimethylindazole;2,3,6-trimethylindazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine.

Molecular Properties

• Compound Name: 2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-4-methylbenzene;2-ethoxy-6-methylnaphthalene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;bis(2-methoxy-6-methylnaphthalene);2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;N,N,3-trimethylaniline;1,3,6-trimethylindazole;2,3,6-trimethylindazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine
• PubChem CID: 162061200
• Molecular Formula: C213H257Cl2F2N17O15S3
• Molecular Weight: 3500.61 g/mol
• Exact Mass: 3496.84
• IUPAC Name: 2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-4-methylbenzene;2-ethoxy-6-methylnaphthalene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;bis(2-methoxy-6-methylnaphthalene);2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;N,N,3-trimethylaniline;1,3,6-trimethylindazole;2,3,6-trimethylindazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine
• SMILES: CCOc1ccc(C)cc1.CCOc1ccc(C)cc1F.CCOc1ccc2cc(C)ccc2c1.COCc1cccc(C)c1.COc1c(C)cc(C)cc1C.COc1ccc2cc(C)ccc2c1.COc1ccc2cc(C)ccc2c1.COc1ncc(C)cn1.Cc1cc(OC(C)C)ccc1F.Cc1cc2ccccc2s1.Cc1ccc(Cl)s1.Cc1ccc(N2CCOCC2)nc1.Cc1ccc(OC(C)C)c(Cl)c1.Cc1ccc2c(C)n(C)nc2c1.Cc1ccc2c(C)nn(C)c2c1.Cc1ccc2c(c1)OCCCO2.Cc1ccc2cc(O)ccc2c1.Cc1cccc(N(C)C)c1.Cc1ccnc(C)c1.Cc1cncnc1.Cc1cnn(C)c1.Cc1csc2ccccc12.Cc1ncc(C)c(C)n1.Cc1noc(C)c1C
• InChI: InChI=1S/C13H14O.2C12H12O.C11H10O.C10H13ClO.C10H13FO.C10H14N2O.2C10H12N2.C10H12O2.C10H14O.C9H11FO.C9H13N.2C9H12O.2C9H8S.C7H10N2.C7H9N.C6H8N2O.C6H9NO.C5H5ClS.C5H8N2.C5H6N2/c1-3-14-13-7-6-11-8-10(2)4-5-12(11)9-13;2*1-9-3-4-11-8-12(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;1-9-2-3-10(11-8-9)12-4-6-13-7-5-12;1-7-4-5-9-8(2)12(3)11-10(9)6-7;1-7-4-5-9-8(2)11-12(3)10(9)6-7;1-8-3-4-9-10(7-8)12-6-2-5-11-9;1-7-5-8(2)10(11-4)9(3)6-7;1-3-11-9-5-4-7(2)6-8(9)10;1-8-5-4-6-9(7-8)10(2)3;1-8-4-3-5-9(6-8)7-10-2;1-3-10-9-6-4-8(2)5-7-9;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-5-4-8-7(3)9-6(5)2;1-6-3-4-8-7(2)5-6;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/h4-9H,3H2,1-2H3;2*3-8H,1-2H3;2-7,12H,1H3;2*4-7H,1-3H3;2-3,8H,4-7H2,1H3;2*4-6H,1-3H3;3-4,7H,2,5-6H2,1H3;5-6H,1-4H3;4-6H,3H2,1-2H3;4-7H,1-3H3;3-6H,7H2,1-2H3;4-7H,3H2,1-2H3;2*2-6H,1H3;4H,1-3H3;3-5H,1-2H3;3-4H,1-2H3;1-3H3;2-3H,1H3;3-4H,1-2H3;2-4H,1H3
• InChIKey: YZWDCTHIOPHODC-UHFFFAOYSA-N
• XLogP: 54.72
• TPSA: 329.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 35
• Rotatable Bonds: 18
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3500.61
LogP ≤ 5	54.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-4-methylbenzene;2-ethoxy-6-methylnaphthalene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;bis(2-methoxy-6-methylnaphthalene);2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;N,N,3-trimethylaniline;1,3,6-trimethylindazole;2,3,6-trimethylindazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine?

The IUPAC name of 2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-4-methylbenzene;2-ethoxy-6-methylnaphthalene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;bis(2-methoxy-6-methylnaphthalene);2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;N,N,3-trimethylaniline;1,3,6-trimethylindazole;2,3,6-trimethylindazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine (CID 162061200) is 2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-4-methylbenzene;2-ethoxy-6-methylnaphthalene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;bis(2-methoxy-6-methylnaphthalene);2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;N,N,3-trimethylaniline;1,3,6-trimethylindazole;2,3,6-trimethylindazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine.

What is the SMILES notation for 2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-4-methylbenzene;2-ethoxy-6-methylnaphthalene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;bis(2-methoxy-6-methylnaphthalene);2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;N,N,3-trimethylaniline;1,3,6-trimethylindazole;2,3,6-trimethylindazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine?

The canonical SMILES for 2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-4-methylbenzene;2-ethoxy-6-methylnaphthalene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;bis(2-methoxy-6-methylnaphthalene);2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;N,N,3-trimethylaniline;1,3,6-trimethylindazole;2,3,6-trimethylindazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine is CCOc1ccc(C)cc1.CCOc1ccc(C)cc1F.CCOc1ccc2cc(C)ccc2c1.COCc1cccc(C)c1.COc1c(C)cc(C)cc1C.COc1ccc2cc(C)ccc2c1.COc1ccc2cc(C)ccc2c1.COc1ncc(C)cn1.Cc1cc(OC(C)C)ccc1F.Cc1cc2ccccc2s1.Cc1ccc(Cl)s1.Cc1ccc(N2CCOCC2)nc1.Cc1ccc(OC(C)C)c(Cl)c1.Cc1ccc2c(C)n(C)nc2c1.Cc1ccc2c(C)nn(C)c2c1.Cc1ccc2c(c1)OCCCO2.Cc1ccc2cc(O)ccc2c1.Cc1cccc(N(C)C)c1.Cc1ccnc(C)c1.Cc1cncnc1.Cc1cnn(C)c1.Cc1csc2ccccc12.Cc1ncc(C)c(C)n1.Cc1noc(C)c1C.

What is the InChIKey of 2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-4-methylbenzene;2-ethoxy-6-methylnaphthalene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;bis(2-methoxy-6-methylnaphthalene);2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;N,N,3-trimethylaniline;1,3,6-trimethylindazole;2,3,6-trimethylindazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine?

The InChIKey is YZWDCTHIOPHODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O.2C12H12O.C11H10O.C10H13ClO.C10H13FO.C10H14N2O.2C10H12N2.C10H12O2.C10H14O.C9H11FO.C9H13N.2C9H12O.2C9H8S.C7H10N2.C7H9N.C6H8N2O.C6H9NO.C5H5ClS.C5H8N2.C5H6N2/c1-3-14-13-7-6-11-8-10(2)4-5-12(11)9-13;2*1-9-3-4-11-8-12(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;1-9-2-3-10(11-8-9)12-4-6-13-7-5-12;1-7-4-5-9-8(2)12(3)11-10(9)6-7;1-7-4-5-9-8(2)11-12(3)10(9)6-7;1-8-3-4-9-10(7-8)12-6-2-5-11-9;1-7-5-8(2)10(11-4)9(3)6-7;1-3-11-9-5-4-7(2)6-8(9)10;1-8-5-4-6-9(7-8)10(2)3;1-8-4-3-5-9(6-8)7-10-2;1-3-10-9-6-4-8(2)5-7-9;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-5-4-8-7(3)9-6(5)2;1-6-3-4-8-7(2)5-6;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/h4-9H,3H2,1-2H3;2*3-8H,1-2H3;2-7,12H,1H3;2*4-7H,1-3H3;2-3,8H,4-7H2,1H3;2*4-6H,1-3H3;3-4,7H,2,5-6H2,1H3;5-6H,1-4H3;4-6H,3H2,1-2H3;4-7H,1-3H3;3-6H,7H2,1-2H3;4-7H,3H2,1-2H3;2*2-6H,1H3;4H,1-3H3;3-5H,1-2H3;3-4H,1-2H3;1-3H3;2-3H,1H3;3-4H,1-2H3;2-4H,1H3.

What are the key properties of 2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-4-methylbenzene;2-ethoxy-6-methylnaphthalene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;bis(2-methoxy-6-methylnaphthalene);2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;N,N,3-trimethylaniline;1,3,6-trimethylindazole;2,3,6-trimethylindazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine?

2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-4-methylbenzene;2-ethoxy-6-methylnaphthalene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;bis(2-methoxy-6-methylnaphthalene);2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;N,N,3-trimethylaniline;1,3,6-trimethylindazole;2,3,6-trimethylindazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine has a molecular weight of 3500.61 g/mol, XLogP of 54.72, 18 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-methyl-1-propan-2-yloxybenzene;2-chloro-5-methylthiophene;1,4-dimethylpyrazole;2,4-dimethylpyridine;1-ethoxy-2-fluoro-4-methylbenzene;1-ethoxy-4-methylbenzene;2-ethoxy-6-methylnaphthalene;1-fluoro-2-methyl-4-propan-2-yloxybenzene;1-(methoxymethyl)-3-methylbenzene;bis(2-methoxy-6-methylnaphthalene);2-methoxy-5-methylpyrimidine;2-methoxy-1,3,5-trimethylbenzene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;N,N,3-trimethylaniline;1,3,6-trimethylindazole;2,3,6-trimethylindazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine is sourced from PubChem (CID 162061200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).