1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;2-methylpropylcyclopropane

C83H119Cl2F2NO2 — CID 159794505

About 1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;2-methylpropylcyclopropane

1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;2-methylpropylcyclopropane (PubChem CID 159794505) has the molecular formula C83H119Cl2F2NO2 and a molecular weight of 1271.77 g/mol. Its IUPAC name is 1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;2-methylpropylcyclopropane.

Molecular Properties

• Compound Name: 1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;2-methylpropylcyclopropane
• PubChem CID: 159794505
• Molecular Formula: C83H119Cl2F2NO2
• Molecular Weight: 1271.77 g/mol
• Exact Mass: 1269.86
• IUPAC Name: 1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;2-methylpropylcyclopropane
• SMILES: C.CC(C)CC1CC1.CC(C)Cc1ccc(C#N)cc1.CC(C)Cc1ccc(OC(C)(F)F)cc1.CC(C)Cc1cccc(Cl)c1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1Cl.COc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1
• InChI: InChI=1S/C12H16F2O.C11H13N.C11H16O.C11H16.2C10H13Cl.C10H14.C7H14.CH4/c1-9(2)8-10-4-6-11(7-5-10)15-12(3,13)14;1-9(2)7-10-3-5-11(8-12)6-4-10;1-9(2)8-10-4-6-11(12-3)7-5-10;1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)6-9-4-3-5-10(11)7-9;1-8(2)7-9-5-3-4-6-10(9)11;1-9(2)8-10-6-4-3-5-7-10;1-6(2)5-7-3-4-7;/h4-7,9H,8H2,1-3H3;3-6,9H,7H2,1-2H3;4-7,9H,8H2,1-3H3;4-7,9H,8H2,1-3H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3;6-7H,3-5H2,1-2H3;1H4
• InChIKey: NIZOCGDMLFDKBU-UHFFFAOYSA-N
• XLogP: 25.76
• TPSA: 42.25 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 19
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1271.77
LogP ≤ 5	25.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;2-methylpropylcyclopropane?

The IUPAC name of 1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;2-methylpropylcyclopropane (CID 159794505) is 1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;2-methylpropylcyclopropane.

What is the SMILES notation for 1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;2-methylpropylcyclopropane?

The canonical SMILES for 1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;2-methylpropylcyclopropane is C.CC(C)CC1CC1.CC(C)Cc1ccc(C#N)cc1.CC(C)Cc1ccc(OC(C)(F)F)cc1.CC(C)Cc1cccc(Cl)c1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1Cl.COc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.

What is the InChIKey of 1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;2-methylpropylcyclopropane?

The InChIKey is NIZOCGDMLFDKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O.C11H13N.C11H16O.C11H16.2C10H13Cl.C10H14.C7H14.CH4/c1-9(2)8-10-4-6-11(7-5-10)15-12(3,13)14;1-9(2)7-10-3-5-11(8-12)6-4-10;1-9(2)8-10-4-6-11(12-3)7-5-10;1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)6-9-4-3-5-10(11)7-9;1-8(2)7-9-5-3-4-6-10(9)11;1-9(2)8-10-6-4-3-5-7-10;1-6(2)5-7-3-4-7;/h4-7,9H,8H2,1-3H3;3-6,9H,7H2,1-2H3;4-7,9H,8H2,1-3H3;4-7,9H,8H2,1-3H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3;6-7H,3-5H2,1-2H3;1H4.

What are the key properties of 1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;2-methylpropylcyclopropane?

1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;2-methylpropylcyclopropane has a molecular weight of 1271.77 g/mol, XLogP of 25.76, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;2-methylpropylcyclopropane is sourced from PubChem (CID 159794505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).