1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;2-chloro-1-ethyl-4-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1,3-dichloro-2-ethylbenzene;ethylbenzene;4-ethyl-1,2-dimethylbenzene;bis(1-ethyl-2-methylbenzene);1-ethyl-3-methylbenzene;hexakis(1-ethyl-4-methylbenzene);1-ethyl-3-nitrobenzene;1-ethyl-3-(trifluoromethyl)benzene;methane;1-methyl-4-propylbenzene;naphthalene;propane;1,2,3,4-tetrahydronaphthalene;1,4-xylene

C211H294Cl6F3NO2 — CID 157390336

About 1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;2-chloro-1-ethyl-4-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1,3-dichloro-2-ethylbenzene;ethylbenzene;4-ethyl-1,2-dimethylbenzene;bis(1-ethyl-2-methylbenzene);1-ethyl-3-methylbenzene;hexakis(1-ethyl-4-methylbenzene);1-ethyl-3-nitrobenzene;1-ethyl-3-(trifluoromethyl)benzene;methane;1-methyl-4-propylbenzene;naphthalene;propane;1,2,3,4-tetrahydronaphthalene;1,4-xylene

1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;2-chloro-1-ethyl-4-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1,3-dichloro-2-ethylbenzene;ethylbenzene;4-ethyl-1,2-dimethylbenzene;bis(1-ethyl-2-methylbenzene);1-ethyl-3-methylbenzene;hexakis(1-ethyl-4-methylbenzene);1-ethyl-3-nitrobenzene;1-ethyl-3-(trifluoromethyl)benzene;methane;1-methyl-4-propylbenzene;naphthalene;propane;1,2,3,4-tetrahydronaphthalene;1,4-xylene (PubChem CID 157390336) has the molecular formula C211H294Cl6F3NO2 and a molecular weight of 3146.39 g/mol. Its IUPAC name is 1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;2-chloro-1-ethyl-4-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1,3-dichloro-2-ethylbenzene;ethylbenzene;4-ethyl-1,2-dimethylbenzene;bis(1-ethyl-2-methylbenzene);1-ethyl-3-methylbenzene;hexakis(1-ethyl-4-methylbenzene);1-ethyl-3-nitrobenzene;1-ethyl-3-(trifluoromethyl)benzene;methane;1-methyl-4-propylbenzene;naphthalene;propane;1,2,3,4-tetrahydronaphthalene;1,4-xylene.

Molecular Properties

• Compound Name: 1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;2-chloro-1-ethyl-4-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1,3-dichloro-2-ethylbenzene;ethylbenzene;4-ethyl-1,2-dimethylbenzene;bis(1-ethyl-2-methylbenzene);1-ethyl-3-methylbenzene;hexakis(1-ethyl-4-methylbenzene);1-ethyl-3-nitrobenzene;1-ethyl-3-(trifluoromethyl)benzene;methane;1-methyl-4-propylbenzene;naphthalene;propane;1,2,3,4-tetrahydronaphthalene;1,4-xylene
• PubChem CID: 157390336
• Molecular Formula: C211H294Cl6F3NO2
• Molecular Weight: 3146.39 g/mol
• Exact Mass: 3141.10
• IUPAC Name: 1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;2-chloro-1-ethyl-4-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1,3-dichloro-2-ethylbenzene;ethylbenzene;4-ethyl-1,2-dimethylbenzene;bis(1-ethyl-2-methylbenzene);1-ethyl-3-methylbenzene;hexakis(1-ethyl-4-methylbenzene);1-ethyl-3-nitrobenzene;1-ethyl-3-(trifluoromethyl)benzene;methane;1-methyl-4-propylbenzene;naphthalene;propane;1,2,3,4-tetrahydronaphthalene;1,4-xylene
• SMILES: C.C.C.C.C.C.C.C.C.CCC.CCC.CCCc1ccc(C)cc1.CCc1c(Cl)cccc1Cl.CCc1ccc(C)c(C)c1.CCc1ccc(C)c(Cl)c1.CCc1ccc(C)cc1.CCc1ccc(C)cc1.CCc1ccc(C)cc1.CCc1ccc(C)cc1.CCc1ccc(C)cc1.CCc1ccc(C)cc1.CCc1ccc(C)cc1Cl.CCc1cccc(C(F)(F)F)c1.CCc1cccc(C)c1.CCc1cccc(Cl)c1.CCc1cccc([N+](=O)[O-])c1.CCc1ccccc1.CCc1ccccc1C.CCc1ccccc1C.CCc1ccccc1Cl.Cc1ccc(C)cc1.c1ccc2c(c1)CCCC2.c1ccc2ccccc2c1
• InChI: InChI=1S/C10H12.C10H8.2C10H14.2C9H11Cl.C9H9F3.9C9H12.C8H8Cl2.2C8H9Cl.C8H9NO2.2C8H10.2C3H8.9CH4/c2*1-2-6-10-8-4-3-7-9(10)5-1;1-4-10-6-5-8(2)9(3)7-10;1-3-4-10-7-5-9(2)6-8-10;1-3-8-5-4-7(2)9(10)6-8;1-3-8-5-4-7(2)6-9(8)10;1-2-7-4-3-5-8(6-7)9(10,11)12;6*1-3-9-6-4-8(2)5-7-9;1-3-9-6-4-5-8(2)7-9;2*1-3-9-7-5-4-6-8(9)2;1-2-6-7(9)4-3-5-8(6)10;1-2-7-4-3-5-8(9)6-7;1-2-7-5-3-4-6-8(7)9;1-2-7-4-3-5-8(6-7)9(10)11;1-7-3-5-8(2)6-4-7;1-2-8-6-4-3-5-7-8;2*1-3-2;;;;;;;;;/h1-2,5-6H,3-4,7-8H2;1-8H;5-7H,4H2,1-3H3;5-8H,3-4H2,1-2H3;2*4-6H,3H2,1-2H3;3-6H,2H2,1H3;9*4-7H,3H2,1-2H3;3-5H,2H2,1H3;2*3-6H,2H2,1H3;3-6H,2H2,1H3;3-6H,1-2H3;3-7H,2H2,1H3;2*3H2,1-2H3;9*1H4
• InChIKey: BLXVZDIVUCDHQJ-UHFFFAOYSA-N
• XLogP: 68.55
• TPSA: 43.14 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 21
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3146.39
LogP ≤ 5	68.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;2-chloro-1-ethyl-4-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1,3-dichloro-2-ethylbenzene;ethylbenzene;4-ethyl-1,2-dimethylbenzene;bis(1-ethyl-2-methylbenzene);1-ethyl-3-methylbenzene;hexakis(1-ethyl-4-methylbenzene);1-ethyl-3-nitrobenzene;1-ethyl-3-(trifluoromethyl)benzene;methane;1-methyl-4-propylbenzene;naphthalene;propane;1,2,3,4-tetrahydronaphthalene;1,4-xylene?

The IUPAC name of 1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;2-chloro-1-ethyl-4-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1,3-dichloro-2-ethylbenzene;ethylbenzene;4-ethyl-1,2-dimethylbenzene;bis(1-ethyl-2-methylbenzene);1-ethyl-3-methylbenzene;hexakis(1-ethyl-4-methylbenzene);1-ethyl-3-nitrobenzene;1-ethyl-3-(trifluoromethyl)benzene;methane;1-methyl-4-propylbenzene;naphthalene;propane;1,2,3,4-tetrahydronaphthalene;1,4-xylene (CID 157390336) is 1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;2-chloro-1-ethyl-4-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1,3-dichloro-2-ethylbenzene;ethylbenzene;4-ethyl-1,2-dimethylbenzene;bis(1-ethyl-2-methylbenzene);1-ethyl-3-methylbenzene;hexakis(1-ethyl-4-methylbenzene);1-ethyl-3-nitrobenzene;1-ethyl-3-(trifluoromethyl)benzene;methane;1-methyl-4-propylbenzene;naphthalene;propane;1,2,3,4-tetrahydronaphthalene;1,4-xylene.

What is the SMILES notation for 1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;2-chloro-1-ethyl-4-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1,3-dichloro-2-ethylbenzene;ethylbenzene;4-ethyl-1,2-dimethylbenzene;bis(1-ethyl-2-methylbenzene);1-ethyl-3-methylbenzene;hexakis(1-ethyl-4-methylbenzene);1-ethyl-3-nitrobenzene;1-ethyl-3-(trifluoromethyl)benzene;methane;1-methyl-4-propylbenzene;naphthalene;propane;1,2,3,4-tetrahydronaphthalene;1,4-xylene?

The canonical SMILES for 1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;2-chloro-1-ethyl-4-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1,3-dichloro-2-ethylbenzene;ethylbenzene;4-ethyl-1,2-dimethylbenzene;bis(1-ethyl-2-methylbenzene);1-ethyl-3-methylbenzene;hexakis(1-ethyl-4-methylbenzene);1-ethyl-3-nitrobenzene;1-ethyl-3-(trifluoromethyl)benzene;methane;1-methyl-4-propylbenzene;naphthalene;propane;1,2,3,4-tetrahydronaphthalene;1,4-xylene is C.C.C.C.C.C.C.C.C.CCC.CCC.CCCc1ccc(C)cc1.CCc1c(Cl)cccc1Cl.CCc1ccc(C)c(C)c1.CCc1ccc(C)c(Cl)c1.CCc1ccc(C)cc1.CCc1ccc(C)cc1.CCc1ccc(C)cc1.CCc1ccc(C)cc1.CCc1ccc(C)cc1.CCc1ccc(C)cc1.CCc1ccc(C)cc1Cl.CCc1cccc(C(F)(F)F)c1.CCc1cccc(C)c1.CCc1cccc(Cl)c1.CCc1cccc([N+](=O)[O-])c1.CCc1ccccc1.CCc1ccccc1C.CCc1ccccc1C.CCc1ccccc1Cl.Cc1ccc(C)cc1.c1ccc2c(c1)CCCC2.c1ccc2ccccc2c1.

What is the InChIKey of 1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;2-chloro-1-ethyl-4-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1,3-dichloro-2-ethylbenzene;ethylbenzene;4-ethyl-1,2-dimethylbenzene;bis(1-ethyl-2-methylbenzene);1-ethyl-3-methylbenzene;hexakis(1-ethyl-4-methylbenzene);1-ethyl-3-nitrobenzene;1-ethyl-3-(trifluoromethyl)benzene;methane;1-methyl-4-propylbenzene;naphthalene;propane;1,2,3,4-tetrahydronaphthalene;1,4-xylene?

The InChIKey is BLXVZDIVUCDHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C10H8.2C10H14.2C9H11Cl.C9H9F3.9C9H12.C8H8Cl2.2C8H9Cl.C8H9NO2.2C8H10.2C3H8.9CH4/c2*1-2-6-10-8-4-3-7-9(10)5-1;1-4-10-6-5-8(2)9(3)7-10;1-3-4-10-7-5-9(2)6-8-10;1-3-8-5-4-7(2)9(10)6-8;1-3-8-5-4-7(2)6-9(8)10;1-2-7-4-3-5-8(6-7)9(10,11)12;6*1-3-9-6-4-8(2)5-7-9;1-3-9-6-4-5-8(2)7-9;2*1-3-9-7-5-4-6-8(9)2;1-2-6-7(9)4-3-5-8(6)10;1-2-7-4-3-5-8(9)6-7;1-2-7-5-3-4-6-8(7)9;1-2-7-4-3-5-8(6-7)9(10)11;1-7-3-5-8(2)6-4-7;1-2-8-6-4-3-5-7-8;2*1-3-2;;;;;;;;;/h1-2,5-6H,3-4,7-8H2;1-8H;5-7H,4H2,1-3H3;5-8H,3-4H2,1-2H3;2*4-6H,3H2,1-2H3;3-6H,2H2,1H3;9*4-7H,3H2,1-2H3;3-5H,2H2,1H3;2*3-6H,2H2,1H3;3-6H,2H2,1H3;3-6H,1-2H3;3-7H,2H2,1H3;2*3H2,1-2H3;9*1H4.

What are the key properties of 1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;2-chloro-1-ethyl-4-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1,3-dichloro-2-ethylbenzene;ethylbenzene;4-ethyl-1,2-dimethylbenzene;bis(1-ethyl-2-methylbenzene);1-ethyl-3-methylbenzene;hexakis(1-ethyl-4-methylbenzene);1-ethyl-3-nitrobenzene;1-ethyl-3-(trifluoromethyl)benzene;methane;1-methyl-4-propylbenzene;naphthalene;propane;1,2,3,4-tetrahydronaphthalene;1,4-xylene?

1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;2-chloro-1-ethyl-4-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1,3-dichloro-2-ethylbenzene;ethylbenzene;4-ethyl-1,2-dimethylbenzene;bis(1-ethyl-2-methylbenzene);1-ethyl-3-methylbenzene;hexakis(1-ethyl-4-methylbenzene);1-ethyl-3-nitrobenzene;1-ethyl-3-(trifluoromethyl)benzene;methane;1-methyl-4-propylbenzene;naphthalene;propane;1,2,3,4-tetrahydronaphthalene;1,4-xylene has a molecular weight of 3146.39 g/mol, XLogP of 68.55, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;2-chloro-1-ethyl-4-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1,3-dichloro-2-ethylbenzene;ethylbenzene;4-ethyl-1,2-dimethylbenzene;bis(1-ethyl-2-methylbenzene);1-ethyl-3-methylbenzene;hexakis(1-ethyl-4-methylbenzene);1-ethyl-3-nitrobenzene;1-ethyl-3-(trifluoromethyl)benzene;methane;1-methyl-4-propylbenzene;naphthalene;propane;1,2,3,4-tetrahydronaphthalene;1,4-xylene is sourced from PubChem (CID 157390336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).