1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methoxy-5-methylbenzene;1,2-dichloro-4-methylbenzene;1,2-difluoro-4-methoxy-5-methylbenzene;4,5-difluoro-2-methylaniline;5-fluoro-2-methylaniline;1-fluoro-4-methylbenzene;methane;1-methoxy-2-methylbenzene;1-methoxy-2,4,5-trimethylbenzene;2-methylbenzoic acid;1-methyl-3-methylsulfanylbenzene;1-methyl-4-methylsulfanylbenzene;(2-methylphenyl)methanol;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene;1,4-xylene

C159H228Cl6F12N2O7S2 — CID 160711012

About 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methoxy-5-methylbenzene;1,2-dichloro-4-methylbenzene;1,2-difluoro-4-methoxy-5-methylbenzene;4,5-difluoro-2-methylaniline;5-fluoro-2-methylaniline;1-fluoro-4-methylbenzene;methane;1-methoxy-2-methylbenzene;1-methoxy-2,4,5-trimethylbenzene;2-methylbenzoic acid;1-methyl-3-methylsulfanylbenzene;1-methyl-4-methylsulfanylbenzene;(2-methylphenyl)methanol;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene;1,4-xylene

1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methoxy-5-methylbenzene;1,2-dichloro-4-methylbenzene;1,2-difluoro-4-methoxy-5-methylbenzene;4,5-difluoro-2-methylaniline;5-fluoro-2-methylaniline;1-fluoro-4-methylbenzene;methane;1-methoxy-2-methylbenzene;1-methoxy-2,4,5-trimethylbenzene;2-methylbenzoic acid;1-methyl-3-methylsulfanylbenzene;1-methyl-4-methylsulfanylbenzene;(2-methylphenyl)methanol;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene;1,4-xylene (PubChem CID 160711012) has the molecular formula C159H228Cl6F12N2O7S2 and a molecular weight of 2784.41 g/mol. Its IUPAC name is 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methoxy-5-methylbenzene;1,2-dichloro-4-methylbenzene;1,2-difluoro-4-methoxy-5-methylbenzene;4,5-difluoro-2-methylaniline;5-fluoro-2-methylaniline;1-fluoro-4-methylbenzene;methane;1-methoxy-2-methylbenzene;1-methoxy-2,4,5-trimethylbenzene;2-methylbenzoic acid;1-methyl-3-methylsulfanylbenzene;1-methyl-4-methylsulfanylbenzene;(2-methylphenyl)methanol;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene;1,4-xylene.

Molecular Properties

• Compound Name: 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methoxy-5-methylbenzene;1,2-dichloro-4-methylbenzene;1,2-difluoro-4-methoxy-5-methylbenzene;4,5-difluoro-2-methylaniline;5-fluoro-2-methylaniline;1-fluoro-4-methylbenzene;methane;1-methoxy-2-methylbenzene;1-methoxy-2,4,5-trimethylbenzene;2-methylbenzoic acid;1-methyl-3-methylsulfanylbenzene;1-methyl-4-methylsulfanylbenzene;(2-methylphenyl)methanol;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene;1,4-xylene
• PubChem CID: 160711012
• Molecular Formula: C159H228Cl6F12N2O7S2
• Molecular Weight: 2784.41 g/mol
• Exact Mass: 2779.49
• IUPAC Name: 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methoxy-5-methylbenzene;1,2-dichloro-4-methylbenzene;1,2-difluoro-4-methoxy-5-methylbenzene;4,5-difluoro-2-methylaniline;5-fluoro-2-methylaniline;1-fluoro-4-methylbenzene;methane;1-methoxy-2-methylbenzene;1-methoxy-2,4,5-trimethylbenzene;2-methylbenzoic acid;1-methyl-3-methylsulfanylbenzene;1-methyl-4-methylsulfanylbenzene;(2-methylphenyl)methanol;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene;1,4-xylene
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.COc1cc(C)c(C)cc1C.COc1cc(Cl)c(Cl)cc1C.COc1cc(F)c(F)cc1C.COc1ccccc1C.CSc1ccc(C)cc1.CSc1cccc(C)c1.Cc1cc(F)c(F)cc1N.Cc1ccc(C(F)(F)F)cc1.Cc1ccc(C)c(C)c1.Cc1ccc(C)cc1.Cc1ccc(Cl)c(Cl)c1.Cc1ccc(Cl)cc1.Cc1ccc(F)cc1.Cc1ccc(F)cc1N.Cc1cccc(C(F)(F)F)c1.Cc1cccc(Cl)c1.Cc1ccccc1C(=O)O.Cc1ccccc1CO
• InChI: InChI=1S/C10H14O.C9H12.C8H8Cl2O.2C8H7F3.C8H8F2O.C8H8O2.2C8H10O.2C8H10S.C8H10.C7H6Cl2.2C7H7Cl.C7H7F2N.C7H8FN.C7H7F.18CH4/c1-7-5-9(3)10(11-4)6-8(7)2;1-7-4-5-8(2)9(3)6-7;1-5-3-6(9)7(10)4-8(5)11-2;1-6-2-4-7(5-3-6)8(9,10)11;1-6-3-2-4-7(5-6)8(9,10)11;1-5-3-6(9)7(10)4-8(5)11-2;1-6-4-2-3-5-7(6)8(9)10;1-7-5-3-4-6-8(7)9-2;1-7-4-2-3-5-8(7)6-9;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;1-7-3-5-8(2)6-4-7;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-4-2-5(8)6(9)3-7(4)10;1-5-2-3-6(8)4-7(5)9;1-6-2-4-7(8)5-3-6;;;;;;;;;;;;;;;;;;/h5-6H,1-4H3;4-6H,1-3H3;3-4H,1-2H3;2*2-5H,1H3;3-4H,1-2H3;2-5H,1H3,(H,9,10);3-6H,1-2H3;2-5,9H,6H2,1H3;2*3-6H,1-2H3;3-6H,1-2H3;2-4H,1H3;2*2-5H,1H3;2-3H,10H2,1H3;2-4H,9H2,1H3;2-5H,1H3;18*1H4
• InChIKey: RRVYMPPUNAGAIM-UHFFFAOYSA-N
• XLogP: 55.53
• TPSA: 146.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2784.41
LogP ≤ 5	55.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methoxy-5-methylbenzene;1,2-dichloro-4-methylbenzene;1,2-difluoro-4-methoxy-5-methylbenzene;4,5-difluoro-2-methylaniline;5-fluoro-2-methylaniline;1-fluoro-4-methylbenzene;methane;1-methoxy-2-methylbenzene;1-methoxy-2,4,5-trimethylbenzene;2-methylbenzoic acid;1-methyl-3-methylsulfanylbenzene;1-methyl-4-methylsulfanylbenzene;(2-methylphenyl)methanol;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene;1,4-xylene?

The IUPAC name of 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methoxy-5-methylbenzene;1,2-dichloro-4-methylbenzene;1,2-difluoro-4-methoxy-5-methylbenzene;4,5-difluoro-2-methylaniline;5-fluoro-2-methylaniline;1-fluoro-4-methylbenzene;methane;1-methoxy-2-methylbenzene;1-methoxy-2,4,5-trimethylbenzene;2-methylbenzoic acid;1-methyl-3-methylsulfanylbenzene;1-methyl-4-methylsulfanylbenzene;(2-methylphenyl)methanol;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene;1,4-xylene (CID 160711012) is 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methoxy-5-methylbenzene;1,2-dichloro-4-methylbenzene;1,2-difluoro-4-methoxy-5-methylbenzene;4,5-difluoro-2-methylaniline;5-fluoro-2-methylaniline;1-fluoro-4-methylbenzene;methane;1-methoxy-2-methylbenzene;1-methoxy-2,4,5-trimethylbenzene;2-methylbenzoic acid;1-methyl-3-methylsulfanylbenzene;1-methyl-4-methylsulfanylbenzene;(2-methylphenyl)methanol;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene;1,4-xylene.

What is the SMILES notation for 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methoxy-5-methylbenzene;1,2-dichloro-4-methylbenzene;1,2-difluoro-4-methoxy-5-methylbenzene;4,5-difluoro-2-methylaniline;5-fluoro-2-methylaniline;1-fluoro-4-methylbenzene;methane;1-methoxy-2-methylbenzene;1-methoxy-2,4,5-trimethylbenzene;2-methylbenzoic acid;1-methyl-3-methylsulfanylbenzene;1-methyl-4-methylsulfanylbenzene;(2-methylphenyl)methanol;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene;1,4-xylene?

The canonical SMILES for 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methoxy-5-methylbenzene;1,2-dichloro-4-methylbenzene;1,2-difluoro-4-methoxy-5-methylbenzene;4,5-difluoro-2-methylaniline;5-fluoro-2-methylaniline;1-fluoro-4-methylbenzene;methane;1-methoxy-2-methylbenzene;1-methoxy-2,4,5-trimethylbenzene;2-methylbenzoic acid;1-methyl-3-methylsulfanylbenzene;1-methyl-4-methylsulfanylbenzene;(2-methylphenyl)methanol;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene;1,4-xylene is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.COc1cc(C)c(C)cc1C.COc1cc(Cl)c(Cl)cc1C.COc1cc(F)c(F)cc1C.COc1ccccc1C.CSc1ccc(C)cc1.CSc1cccc(C)c1.Cc1cc(F)c(F)cc1N.Cc1ccc(C(F)(F)F)cc1.Cc1ccc(C)c(C)c1.Cc1ccc(C)cc1.Cc1ccc(Cl)c(Cl)c1.Cc1ccc(Cl)cc1.Cc1ccc(F)cc1.Cc1ccc(F)cc1N.Cc1cccc(C(F)(F)F)c1.Cc1cccc(Cl)c1.Cc1ccccc1C(=O)O.Cc1ccccc1CO.

What is the InChIKey of 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methoxy-5-methylbenzene;1,2-dichloro-4-methylbenzene;1,2-difluoro-4-methoxy-5-methylbenzene;4,5-difluoro-2-methylaniline;5-fluoro-2-methylaniline;1-fluoro-4-methylbenzene;methane;1-methoxy-2-methylbenzene;1-methoxy-2,4,5-trimethylbenzene;2-methylbenzoic acid;1-methyl-3-methylsulfanylbenzene;1-methyl-4-methylsulfanylbenzene;(2-methylphenyl)methanol;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene;1,4-xylene?

The InChIKey is RRVYMPPUNAGAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C9H12.C8H8Cl2O.2C8H7F3.C8H8F2O.C8H8O2.2C8H10O.2C8H10S.C8H10.C7H6Cl2.2C7H7Cl.C7H7F2N.C7H8FN.C7H7F.18CH4/c1-7-5-9(3)10(11-4)6-8(7)2;1-7-4-5-8(2)9(3)6-7;1-5-3-6(9)7(10)4-8(5)11-2;1-6-2-4-7(5-3-6)8(9,10)11;1-6-3-2-4-7(5-6)8(9,10)11;1-5-3-6(9)7(10)4-8(5)11-2;1-6-4-2-3-5-7(6)8(9)10;1-7-5-3-4-6-8(7)9-2;1-7-4-2-3-5-8(7)6-9;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;1-7-3-5-8(2)6-4-7;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-4-2-5(8)6(9)3-7(4)10;1-5-2-3-6(8)4-7(5)9;1-6-2-4-7(8)5-3-6;;;;;;;;;;;;;;;;;;/h5-6H,1-4H3;4-6H,1-3H3;3-4H,1-2H3;2*2-5H,1H3;3-4H,1-2H3;2-5H,1H3,(H,9,10);3-6H,1-2H3;2-5,9H,6H2,1H3;2*3-6H,1-2H3;3-6H,1-2H3;2-4H,1H3;2*2-5H,1H3;2-3H,10H2,1H3;2-4H,9H2,1H3;2-5H,1H3;18*1H4.

What are the key properties of 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methoxy-5-methylbenzene;1,2-dichloro-4-methylbenzene;1,2-difluoro-4-methoxy-5-methylbenzene;4,5-difluoro-2-methylaniline;5-fluoro-2-methylaniline;1-fluoro-4-methylbenzene;methane;1-methoxy-2-methylbenzene;1-methoxy-2,4,5-trimethylbenzene;2-methylbenzoic acid;1-methyl-3-methylsulfanylbenzene;1-methyl-4-methylsulfanylbenzene;(2-methylphenyl)methanol;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene;1,4-xylene?

1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methoxy-5-methylbenzene;1,2-dichloro-4-methylbenzene;1,2-difluoro-4-methoxy-5-methylbenzene;4,5-difluoro-2-methylaniline;5-fluoro-2-methylaniline;1-fluoro-4-methylbenzene;methane;1-methoxy-2-methylbenzene;1-methoxy-2,4,5-trimethylbenzene;2-methylbenzoic acid;1-methyl-3-methylsulfanylbenzene;1-methyl-4-methylsulfanylbenzene;(2-methylphenyl)methanol;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene;1,4-xylene has a molecular weight of 2784.41 g/mol, XLogP of 55.53, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methoxy-5-methylbenzene;1,2-dichloro-4-methylbenzene;1,2-difluoro-4-methoxy-5-methylbenzene;4,5-difluoro-2-methylaniline;5-fluoro-2-methylaniline;1-fluoro-4-methylbenzene;methane;1-methoxy-2-methylbenzene;1-methoxy-2,4,5-trimethylbenzene;2-methylbenzoic acid;1-methyl-3-methylsulfanylbenzene;1-methyl-4-methylsulfanylbenzene;(2-methylphenyl)methanol;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene;1,4-xylene is sourced from PubChem (CID 160711012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).