1-chloro-2-[4-(2-methylpropyl)phenyl]benzene;bis(1-cyclopenta-1,4-dien-1-yl-4-(2-methylpropyl)benzene);tris(1-methyl-3-[4-(2-methylpropyl)phenyl]benzene);bis(1-methyl-4-[4-(2-methylpropyl)phenyl]benzene);1-(2-methylpropyl)-4-phenylbenzene

C147H171Cl — CID 159298601

About 1-chloro-2-[4-(2-methylpropyl)phenyl]benzene;bis(1-cyclopenta-1,4-dien-1-yl-4-(2-methylpropyl)benzene);tris(1-methyl-3-[4-(2-methylpropyl)phenyl]benzene);bis(1-methyl-4-[4-(2-methylpropyl)phenyl]benzene);1-(2-methylpropyl)-4-phenylbenzene

1-chloro-2-[4-(2-methylpropyl)phenyl]benzene;bis(1-cyclopenta-1,4-dien-1-yl-4-(2-methylpropyl)benzene);tris(1-methyl-3-[4-(2-methylpropyl)phenyl]benzene);bis(1-methyl-4-[4-(2-methylpropyl)phenyl]benzene);1-(2-methylpropyl)-4-phenylbenzene (PubChem CID 159298601) has the molecular formula C147H171Cl and a molecular weight of 1973.44 g/mol. Its IUPAC name is 1-chloro-2-[4-(2-methylpropyl)phenyl]benzene;bis(1-cyclopenta-1,4-dien-1-yl-4-(2-methylpropyl)benzene);tris(1-methyl-3-[4-(2-methylpropyl)phenyl]benzene);bis(1-methyl-4-[4-(2-methylpropyl)phenyl]benzene);1-(2-methylpropyl)-4-phenylbenzene.

Molecular Properties

• Compound Name: 1-chloro-2-[4-(2-methylpropyl)phenyl]benzene;bis(1-cyclopenta-1,4-dien-1-yl-4-(2-methylpropyl)benzene);tris(1-methyl-3-[4-(2-methylpropyl)phenyl]benzene);bis(1-methyl-4-[4-(2-methylpropyl)phenyl]benzene);1-(2-methylpropyl)-4-phenylbenzene
• PubChem CID: 159298601
• Molecular Formula: C147H171Cl
• Molecular Weight: 1973.44 g/mol
• Exact Mass: 1971.31
• IUPAC Name: 1-chloro-2-[4-(2-methylpropyl)phenyl]benzene;bis(1-cyclopenta-1,4-dien-1-yl-4-(2-methylpropyl)benzene);tris(1-methyl-3-[4-(2-methylpropyl)phenyl]benzene);bis(1-methyl-4-[4-(2-methylpropyl)phenyl]benzene);1-(2-methylpropyl)-4-phenylbenzene
• SMILES: CC(C)Cc1ccc(-c2ccccc2)cc1.CC(C)Cc1ccc(-c2ccccc2Cl)cc1.CC(C)Cc1ccc(C2=CCC=C2)cc1.CC(C)Cc1ccc(C2=CCC=C2)cc1.Cc1ccc(-c2ccc(CC(C)C)cc2)cc1.Cc1ccc(-c2ccc(CC(C)C)cc2)cc1.Cc1cccc(-c2ccc(CC(C)C)cc2)c1.Cc1cccc(-c2ccc(CC(C)C)cc2)c1.Cc1cccc(-c2ccc(CC(C)C)cc2)c1
• InChI: InChI=1S/5C17H20.C16H17Cl.C16H18.2C15H18/c2*1-13(2)12-15-6-10-17(11-7-15)16-8-4-14(3)5-9-16;3*1-13(2)11-15-7-9-16(10-8-15)17-6-4-5-14(3)12-17;1-12(2)11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)17;1-13(2)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15;2*1-12(2)11-13-7-9-15(10-8-13)14-5-3-4-6-14/h2*4-11,13H,12H2,1-3H3;3*4-10,12-13H,11H2,1-3H3;3-10,12H,11H2,1-2H3;3-11,13H,12H2,1-2H3;2*3,5-10,12H,4,11H2,1-2H3
• InChIKey: LBAVJFORMGREHP-UHFFFAOYSA-N
• XLogP: 42.52
• TPSA: 0.00 Ų
• Rotatable Bonds: 27
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1973.44
LogP ≤ 5	42.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[4-(2-methylpropyl)phenyl]benzene;bis(1-cyclopenta-1,4-dien-1-yl-4-(2-methylpropyl)benzene);tris(1-methyl-3-[4-(2-methylpropyl)phenyl]benzene);bis(1-methyl-4-[4-(2-methylpropyl)phenyl]benzene);1-(2-methylpropyl)-4-phenylbenzene?

The IUPAC name of 1-chloro-2-[4-(2-methylpropyl)phenyl]benzene;bis(1-cyclopenta-1,4-dien-1-yl-4-(2-methylpropyl)benzene);tris(1-methyl-3-[4-(2-methylpropyl)phenyl]benzene);bis(1-methyl-4-[4-(2-methylpropyl)phenyl]benzene);1-(2-methylpropyl)-4-phenylbenzene (CID 159298601) is 1-chloro-2-[4-(2-methylpropyl)phenyl]benzene;bis(1-cyclopenta-1,4-dien-1-yl-4-(2-methylpropyl)benzene);tris(1-methyl-3-[4-(2-methylpropyl)phenyl]benzene);bis(1-methyl-4-[4-(2-methylpropyl)phenyl]benzene);1-(2-methylpropyl)-4-phenylbenzene.

What is the SMILES notation for 1-chloro-2-[4-(2-methylpropyl)phenyl]benzene;bis(1-cyclopenta-1,4-dien-1-yl-4-(2-methylpropyl)benzene);tris(1-methyl-3-[4-(2-methylpropyl)phenyl]benzene);bis(1-methyl-4-[4-(2-methylpropyl)phenyl]benzene);1-(2-methylpropyl)-4-phenylbenzene?

The canonical SMILES for 1-chloro-2-[4-(2-methylpropyl)phenyl]benzene;bis(1-cyclopenta-1,4-dien-1-yl-4-(2-methylpropyl)benzene);tris(1-methyl-3-[4-(2-methylpropyl)phenyl]benzene);bis(1-methyl-4-[4-(2-methylpropyl)phenyl]benzene);1-(2-methylpropyl)-4-phenylbenzene is CC(C)Cc1ccc(-c2ccccc2)cc1.CC(C)Cc1ccc(-c2ccccc2Cl)cc1.CC(C)Cc1ccc(C2=CCC=C2)cc1.CC(C)Cc1ccc(C2=CCC=C2)cc1.Cc1ccc(-c2ccc(CC(C)C)cc2)cc1.Cc1ccc(-c2ccc(CC(C)C)cc2)cc1.Cc1cccc(-c2ccc(CC(C)C)cc2)c1.Cc1cccc(-c2ccc(CC(C)C)cc2)c1.Cc1cccc(-c2ccc(CC(C)C)cc2)c1.

What is the InChIKey of 1-chloro-2-[4-(2-methylpropyl)phenyl]benzene;bis(1-cyclopenta-1,4-dien-1-yl-4-(2-methylpropyl)benzene);tris(1-methyl-3-[4-(2-methylpropyl)phenyl]benzene);bis(1-methyl-4-[4-(2-methylpropyl)phenyl]benzene);1-(2-methylpropyl)-4-phenylbenzene?

The InChIKey is LBAVJFORMGREHP-UHFFFAOYSA-N. The full InChI is InChI=1S/5C17H20.C16H17Cl.C16H18.2C15H18/c2*1-13(2)12-15-6-10-17(11-7-15)16-8-4-14(3)5-9-16;3*1-13(2)11-15-7-9-16(10-8-15)17-6-4-5-14(3)12-17;1-12(2)11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)17;1-13(2)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15;2*1-12(2)11-13-7-9-15(10-8-13)14-5-3-4-6-14/h2*4-11,13H,12H2,1-3H3;3*4-10,12-13H,11H2,1-3H3;3-10,12H,11H2,1-2H3;3-11,13H,12H2,1-2H3;2*3,5-10,12H,4,11H2,1-2H3.

What are the key properties of 1-chloro-2-[4-(2-methylpropyl)phenyl]benzene;bis(1-cyclopenta-1,4-dien-1-yl-4-(2-methylpropyl)benzene);tris(1-methyl-3-[4-(2-methylpropyl)phenyl]benzene);bis(1-methyl-4-[4-(2-methylpropyl)phenyl]benzene);1-(2-methylpropyl)-4-phenylbenzene?

1-chloro-2-[4-(2-methylpropyl)phenyl]benzene;bis(1-cyclopenta-1,4-dien-1-yl-4-(2-methylpropyl)benzene);tris(1-methyl-3-[4-(2-methylpropyl)phenyl]benzene);bis(1-methyl-4-[4-(2-methylpropyl)phenyl]benzene);1-(2-methylpropyl)-4-phenylbenzene has a molecular weight of 1973.44 g/mol, XLogP of 42.52, 27 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-2-[4-(2-methylpropyl)phenyl]benzene;bis(1-cyclopenta-1,4-dien-1-yl-4-(2-methylpropyl)benzene);tris(1-methyl-3-[4-(2-methylpropyl)phenyl]benzene);bis(1-methyl-4-[4-(2-methylpropyl)phenyl]benzene);1-(2-methylpropyl)-4-phenylbenzene is sourced from PubChem (CID 159298601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).