1-chloro-2,4-dimethylbenzene;4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-chloro-3-methylbenzamide;4-chloro-3-methylbenzoic acid;3-chloro-2-methylphenol;4-chloro-3-methylphenol;1-(4-chloro-3-methylphenyl)ethanone;(4-chloro-3-methylphenyl)methanol;1-chloro-2-methyl-4-(trifluoromethoxy)benzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;bis((3,4-dimethylphenyl)methanol);4-fluoro-1,2-dimethylbenzene;4-fluoro-3-methoxy-5-methylbenzoic acid;1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene

C165H181Cl13F9NO15 — CID 159424168

About 1-chloro-2,4-dimethylbenzene;4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-chloro-3-methylbenzamide;4-chloro-3-methylbenzoic acid;3-chloro-2-methylphenol;4-chloro-3-methylphenol;1-(4-chloro-3-methylphenyl)ethanone;(4-chloro-3-methylphenyl)methanol;1-chloro-2-methyl-4-(trifluoromethoxy)benzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;bis((3,4-dimethylphenyl)methanol);4-fluoro-1,2-dimethylbenzene;4-fluoro-3-methoxy-5-methylbenzoic acid;1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene

1-chloro-2,4-dimethylbenzene;4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-chloro-3-methylbenzamide;4-chloro-3-methylbenzoic acid;3-chloro-2-methylphenol;4-chloro-3-methylphenol;1-(4-chloro-3-methylphenyl)ethanone;(4-chloro-3-methylphenyl)methanol;1-chloro-2-methyl-4-(trifluoromethoxy)benzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;bis((3,4-dimethylphenyl)methanol);4-fluoro-1,2-dimethylbenzene;4-fluoro-3-methoxy-5-methylbenzoic acid;1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene (PubChem CID 159424168) has the molecular formula C165H181Cl13F9NO15 and a molecular weight of 3050.13 g/mol. Its IUPAC name is 1-chloro-2,4-dimethylbenzene;4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-chloro-3-methylbenzamide;4-chloro-3-methylbenzoic acid;3-chloro-2-methylphenol;4-chloro-3-methylphenol;1-(4-chloro-3-methylphenyl)ethanone;(4-chloro-3-methylphenyl)methanol;1-chloro-2-methyl-4-(trifluoromethoxy)benzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;bis((3,4-dimethylphenyl)methanol);4-fluoro-1,2-dimethylbenzene;4-fluoro-3-methoxy-5-methylbenzoic acid;1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene.

Molecular Properties

• Compound Name: 1-chloro-2,4-dimethylbenzene;4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-chloro-3-methylbenzamide;4-chloro-3-methylbenzoic acid;3-chloro-2-methylphenol;4-chloro-3-methylphenol;1-(4-chloro-3-methylphenyl)ethanone;(4-chloro-3-methylphenyl)methanol;1-chloro-2-methyl-4-(trifluoromethoxy)benzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;bis((3,4-dimethylphenyl)methanol);4-fluoro-1,2-dimethylbenzene;4-fluoro-3-methoxy-5-methylbenzoic acid;1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene
• PubChem CID: 159424168
• Molecular Formula: C165H181Cl13F9NO15
• Molecular Weight: 3050.13 g/mol
• Exact Mass: 3041.92
• IUPAC Name: 1-chloro-2,4-dimethylbenzene;4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-chloro-3-methylbenzamide;4-chloro-3-methylbenzoic acid;3-chloro-2-methylphenol;4-chloro-3-methylphenol;1-(4-chloro-3-methylphenyl)ethanone;(4-chloro-3-methylphenyl)methanol;1-chloro-2-methyl-4-(trifluoromethoxy)benzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;bis((3,4-dimethylphenyl)methanol);4-fluoro-1,2-dimethylbenzene;4-fluoro-3-methoxy-5-methylbenzoic acid;1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene
• SMILES: CC(=O)c1ccc(Cl)c(C)c1.COc1cc(C(=O)O)cc(C)c1F.COc1ccc(Cl)c(C)c1.COc1cccc(Cl)c1C.Cc1c(F)cccc1Cl.Cc1c(O)cccc1Cl.Cc1cc(C(=O)O)ccc1Cl.Cc1cc(C(F)(F)F)ccc1Cl.Cc1cc(C(N)=O)ccc1Cl.Cc1cc(C)c(C)c(C)c1.Cc1cc(CO)ccc1Cl.Cc1cc(O)ccc1Cl.Cc1cc(OC(F)(F)F)ccc1Cl.Cc1ccc(C)c(C)c1.Cc1ccc(CO)cc1C.Cc1ccc(CO)cc1C.Cc1ccc(Cl)c(C)c1.Cc1ccc(Cl)cc1C.Cc1ccc(F)cc1C.Cc1cccc(C)c1C
• InChI: InChI=1S/C10H14.C9H9ClO.C9H9FO3.2C9H12O.2C9H12.C8H6ClF3O.C8H6ClF3.C8H8ClNO.C8H7ClO2.3C8H9ClO.2C8H9Cl.C8H9F.C7H6ClF.2C7H7ClO/c1-7-5-8(2)10(4)9(3)6-7;1-6-5-8(7(2)11)3-4-9(6)10;1-5-3-6(9(11)12)4-7(13-2)8(5)10;2*1-7-3-4-9(6-10)5-8(7)2;1-7-4-5-8(2)9(3)6-7;1-7-5-4-6-8(2)9(7)3;1-5-4-6(2-3-7(5)9)13-8(10,11)12;1-5-4-6(8(10,11)12)2-3-7(5)9;2*1-5-4-6(8(10)11)2-3-7(5)9;1-6-5-7(10-2)3-4-8(6)9;1-6-7(9)4-3-5-8(6)10-2;1-6-4-7(5-10)2-3-8(6)9;1-6-3-4-8(9)5-7(6)2;1-6-3-4-8(9)7(2)5-6;1-6-3-4-8(9)5-7(6)2;1-5-6(8)3-2-4-7(5)9;1-5-4-6(9)2-3-7(5)8;1-5-6(8)3-2-4-7(5)9/h5-6H,1-4H3;3-5H,1-2H3;3-4H,1-2H3,(H,11,12);2*3-5,10H,6H2,1-2H3;2*4-6H,1-3H3;2-4H,1H3;2-4H,1H3;2-4H,1H3,(H2,10,11);2-4H,1H3,(H,10,11);2*3-5H,1-2H3;2-4,10H,5H2,1H3;3*3-5H,1-2H3;2-4H,1H3;2*2-4,9H,1H3
• InChIKey: LQDFPCXVWDYHNL-UHFFFAOYSA-N
• XLogP: 51.04
• TPSA: 272.83 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3050.13
LogP ≤ 5	51.04
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,4-dimethylbenzene;4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-chloro-3-methylbenzamide;4-chloro-3-methylbenzoic acid;3-chloro-2-methylphenol;4-chloro-3-methylphenol;1-(4-chloro-3-methylphenyl)ethanone;(4-chloro-3-methylphenyl)methanol;1-chloro-2-methyl-4-(trifluoromethoxy)benzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;bis((3,4-dimethylphenyl)methanol);4-fluoro-1,2-dimethylbenzene;4-fluoro-3-methoxy-5-methylbenzoic acid;1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene?

The IUPAC name of 1-chloro-2,4-dimethylbenzene;4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-chloro-3-methylbenzamide;4-chloro-3-methylbenzoic acid;3-chloro-2-methylphenol;4-chloro-3-methylphenol;1-(4-chloro-3-methylphenyl)ethanone;(4-chloro-3-methylphenyl)methanol;1-chloro-2-methyl-4-(trifluoromethoxy)benzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;bis((3,4-dimethylphenyl)methanol);4-fluoro-1,2-dimethylbenzene;4-fluoro-3-methoxy-5-methylbenzoic acid;1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene (CID 159424168) is 1-chloro-2,4-dimethylbenzene;4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-chloro-3-methylbenzamide;4-chloro-3-methylbenzoic acid;3-chloro-2-methylphenol;4-chloro-3-methylphenol;1-(4-chloro-3-methylphenyl)ethanone;(4-chloro-3-methylphenyl)methanol;1-chloro-2-methyl-4-(trifluoromethoxy)benzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;bis((3,4-dimethylphenyl)methanol);4-fluoro-1,2-dimethylbenzene;4-fluoro-3-methoxy-5-methylbenzoic acid;1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene.

What is the SMILES notation for 1-chloro-2,4-dimethylbenzene;4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-chloro-3-methylbenzamide;4-chloro-3-methylbenzoic acid;3-chloro-2-methylphenol;4-chloro-3-methylphenol;1-(4-chloro-3-methylphenyl)ethanone;(4-chloro-3-methylphenyl)methanol;1-chloro-2-methyl-4-(trifluoromethoxy)benzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;bis((3,4-dimethylphenyl)methanol);4-fluoro-1,2-dimethylbenzene;4-fluoro-3-methoxy-5-methylbenzoic acid;1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene?

The canonical SMILES for 1-chloro-2,4-dimethylbenzene;4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-chloro-3-methylbenzamide;4-chloro-3-methylbenzoic acid;3-chloro-2-methylphenol;4-chloro-3-methylphenol;1-(4-chloro-3-methylphenyl)ethanone;(4-chloro-3-methylphenyl)methanol;1-chloro-2-methyl-4-(trifluoromethoxy)benzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;bis((3,4-dimethylphenyl)methanol);4-fluoro-1,2-dimethylbenzene;4-fluoro-3-methoxy-5-methylbenzoic acid;1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene is CC(=O)c1ccc(Cl)c(C)c1.COc1cc(C(=O)O)cc(C)c1F.COc1ccc(Cl)c(C)c1.COc1cccc(Cl)c1C.Cc1c(F)cccc1Cl.Cc1c(O)cccc1Cl.Cc1cc(C(=O)O)ccc1Cl.Cc1cc(C(F)(F)F)ccc1Cl.Cc1cc(C(N)=O)ccc1Cl.Cc1cc(C)c(C)c(C)c1.Cc1cc(CO)ccc1Cl.Cc1cc(O)ccc1Cl.Cc1cc(OC(F)(F)F)ccc1Cl.Cc1ccc(C)c(C)c1.Cc1ccc(CO)cc1C.Cc1ccc(CO)cc1C.Cc1ccc(Cl)c(C)c1.Cc1ccc(Cl)cc1C.Cc1ccc(F)cc1C.Cc1cccc(C)c1C.

What is the InChIKey of 1-chloro-2,4-dimethylbenzene;4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-chloro-3-methylbenzamide;4-chloro-3-methylbenzoic acid;3-chloro-2-methylphenol;4-chloro-3-methylphenol;1-(4-chloro-3-methylphenyl)ethanone;(4-chloro-3-methylphenyl)methanol;1-chloro-2-methyl-4-(trifluoromethoxy)benzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;bis((3,4-dimethylphenyl)methanol);4-fluoro-1,2-dimethylbenzene;4-fluoro-3-methoxy-5-methylbenzoic acid;1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene?

The InChIKey is LQDFPCXVWDYHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C9H9ClO.C9H9FO3.2C9H12O.2C9H12.C8H6ClF3O.C8H6ClF3.C8H8ClNO.C8H7ClO2.3C8H9ClO.2C8H9Cl.C8H9F.C7H6ClF.2C7H7ClO/c1-7-5-8(2)10(4)9(3)6-7;1-6-5-8(7(2)11)3-4-9(6)10;1-5-3-6(9(11)12)4-7(13-2)8(5)10;2*1-7-3-4-9(6-10)5-8(7)2;1-7-4-5-8(2)9(3)6-7;1-7-5-4-6-8(2)9(7)3;1-5-4-6(2-3-7(5)9)13-8(10,11)12;1-5-4-6(8(10,11)12)2-3-7(5)9;2*1-5-4-6(8(10)11)2-3-7(5)9;1-6-5-7(10-2)3-4-8(6)9;1-6-7(9)4-3-5-8(6)10-2;1-6-4-7(5-10)2-3-8(6)9;1-6-3-4-8(9)5-7(6)2;1-6-3-4-8(9)7(2)5-6;1-6-3-4-8(9)5-7(6)2;1-5-6(8)3-2-4-7(5)9;1-5-4-6(9)2-3-7(5)8;1-5-6(8)3-2-4-7(5)9/h5-6H,1-4H3;3-5H,1-2H3;3-4H,1-2H3,(H,11,12);2*3-5,10H,6H2,1-2H3;2*4-6H,1-3H3;2-4H,1H3;2-4H,1H3;2-4H,1H3,(H2,10,11);2-4H,1H3,(H,10,11);2*3-5H,1-2H3;2-4,10H,5H2,1H3;3*3-5H,1-2H3;2-4H,1H3;2*2-4,9H,1H3.

What are the key properties of 1-chloro-2,4-dimethylbenzene;4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-chloro-3-methylbenzamide;4-chloro-3-methylbenzoic acid;3-chloro-2-methylphenol;4-chloro-3-methylphenol;1-(4-chloro-3-methylphenyl)ethanone;(4-chloro-3-methylphenyl)methanol;1-chloro-2-methyl-4-(trifluoromethoxy)benzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;bis((3,4-dimethylphenyl)methanol);4-fluoro-1,2-dimethylbenzene;4-fluoro-3-methoxy-5-methylbenzoic acid;1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene?

1-chloro-2,4-dimethylbenzene;4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-chloro-3-methylbenzamide;4-chloro-3-methylbenzoic acid;3-chloro-2-methylphenol;4-chloro-3-methylphenol;1-(4-chloro-3-methylphenyl)ethanone;(4-chloro-3-methylphenyl)methanol;1-chloro-2-methyl-4-(trifluoromethoxy)benzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;bis((3,4-dimethylphenyl)methanol);4-fluoro-1,2-dimethylbenzene;4-fluoro-3-methoxy-5-methylbenzoic acid;1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene has a molecular weight of 3050.13 g/mol, XLogP of 51.04, 11 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-2,4-dimethylbenzene;4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-chloro-3-methylbenzamide;4-chloro-3-methylbenzoic acid;3-chloro-2-methylphenol;4-chloro-3-methylphenol;1-(4-chloro-3-methylphenyl)ethanone;(4-chloro-3-methylphenyl)methanol;1-chloro-2-methyl-4-(trifluoromethoxy)benzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;bis((3,4-dimethylphenyl)methanol);4-fluoro-1,2-dimethylbenzene;4-fluoro-3-methoxy-5-methylbenzoic acid;1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene is sourced from PubChem (CID 159424168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).