1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;1-hexyl-4-[2-(4-hexylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-octyl-4-[2-(4-octylphenyl)propan-2-yl]benzene;2-phenylpropan-2-ylbenzene

C165H217O3+ — CID 159157615

IUPAC1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;1-hexyl-4-[2-(4-hexylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-octyl-4-[2-(4-octylphenyl)propan-2-yl]benzene;2-phenylpropan-2-ylbenzene
SMILESCC(C)(C)c1ccc(C(C)(C)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(c1ccccc1)c1ccccc1.CCCCCCCCc1ccc(C(C)(C)c2ccc(CCCCCCCC)cc2)cc1.CCCCCCc1ccc(C(C)(C)c2ccc(CCCCCC)cc2)cc1.CCc1ccc(C(C)(C)c2ccc(CC)cc2)cc1.COc1ccc(C(C)(C)c2ccccc2)cc1.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.[CH2+]C(C)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C31H48.C27H40.C23H32.C19H24.C17H19O2.C17H20.C16H18O.C15H16/c1-5-7-9-11-13-15-17-27-19-23-29(24-20-27)31(3,4)30-25-21-28(22-26-30)18-16-14-12-10-8-6-2;1-5-7-9-11-13-23-15-19-25(20-16-23)27(3,4)26-21-17-24(18-22-26)14-12-10-8-6-2;1-21(2,3)17-9-13-19(14-10-17)23(7,8)20-15-11-18(12-16-20)22(4,5)6;1-5-15-7-11-17(12-8-15)19(3,4)18-13-9-16(6-2)10-14-18;1-17(2,13-5-9-15(18-3)10-6-13)14-7-11-16(19-4)12-8-14;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-16(2,13-7-5-4-6-8-13)14-9-11-15(17-3)12-10-14;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h19-26H,5-18H2,1-4H3;15-22H,5-14H2,1-4H3;9-16H,1-8H3;7-14H,5-6H2,1-4H3;5-12H,1H2,2-4H3;5-12H,1-4H3;4-12H,1-3H3;3-12H,1-2H3/q;;;;+1;;;
InChIKeyKKBYVEZFJJHZES-UHFFFAOYSA-N
MW2248.55 g/mol
LogP46.33
Rot. Bonds45

About 1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;1-hexyl-4-[2-(4-hexylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-octyl-4-[2-(4-octylphenyl)propan-2-yl]benzene;2-phenylpropan-2-ylbenzene

1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;1-hexyl-4-[2-(4-hexylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-octyl-4-[2-(4-octylphenyl)propan-2-yl]benzene;2-phenylpropan-2-ylbenzene (PubChem CID 159157615) has the molecular formula C165H217O3+ and a molecular weight of 2248.55 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;1-hexyl-4-[2-(4-hexylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-octyl-4-[2-(4-octylphenyl)propan-2-yl]benzene;2-phenylpropan-2-ylbenzene.

Molecular Properties

Compound Name1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;1-hexyl-4-[2-(4-hexylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-octyl-4-[2-(4-octylphenyl)propan-2-yl]benzene;2-phenylpropan-2-ylbenzene
PubChem CID159157615
Molecular FormulaC165H217O3+
Molecular Weight2248.55 g/mol
Exact Mass2246.68
IUPAC Name1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;1-hexyl-4-[2-(4-hexylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-octyl-4-[2-(4-octylphenyl)propan-2-yl]benzene;2-phenylpropan-2-ylbenzene
SMILESCC(C)(C)c1ccc(C(C)(C)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(c1ccccc1)c1ccccc1.CCCCCCCCc1ccc(C(C)(C)c2ccc(CCCCCCCC)cc2)cc1.CCCCCCc1ccc(C(C)(C)c2ccc(CCCCCC)cc2)cc1.CCc1ccc(C(C)(C)c2ccc(CC)cc2)cc1.COc1ccc(C(C)(C)c2ccccc2)cc1.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.[CH2+]C(C)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C31H48.C27H40.C23H32.C19H24.C17H19O2.C17H20.C16H18O.C15H16/c1-5-7-9-11-13-15-17-27-19-23-29(24-20-27)31(3,4)30-25-21-28(22-26-30)18-16-14-12-10-8-6-2;1-5-7-9-11-13-23-15-19-25(20-16-23)27(3,4)26-21-17-24(18-22-26)14-12-10-8-6-2;1-21(2,3)17-9-13-19(14-10-17)23(7,8)20-15-11-18(12-16-20)22(4,5)6;1-5-15-7-11-17(12-8-15)19(3,4)18-13-9-16(6-2)10-14-18;1-17(2,13-5-9-15(18-3)10-6-13)14-7-11-16(19-4)12-8-14;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-16(2,13-7-5-4-6-8-13)14-9-11-15(17-3)12-10-14;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h19-26H,5-18H2,1-4H3;15-22H,5-14H2,1-4H3;9-16H,1-8H3;7-14H,5-6H2,1-4H3;5-12H,1H2,2-4H3;5-12H,1-4H3;4-12H,1-3H3;3-12H,1-2H3/q;;;;+1;;;
InChIKeyKKBYVEZFJJHZES-UHFFFAOYSA-N
XLogP46.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds45
Heavy Atoms168
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002248.55
LogP ≤ 546.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;1-hexyl-4-[2-(4-hexylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-octyl-4-[2-(4-octylphenyl)propan-2-yl]benzene;2-phenylpropan-2-ylbenzene with MolForge

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Related Compounds

1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-hexyl-4-[2-(4-hexylphenyl)propan-2-yl]benzene;1-methoxy-4-(2-phenylpropan-2-yl)benzene;1-octyl-4-[2-(4-octylphenyl)propan-2-yl]benzene
CID 123210298
benzylbenzene;1-benzyl-4-methoxybenzene;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;1-ethyl-4-[(4-ethylphenyl)methyl]benzene;1-hexyl-4-[(4-hexylphenyl)methyl]benzene;[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-octyl-4-[(4-octylphenyl)methyl]benzene
CID 161076268
1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
CID 159793185
4-nonylphenol;4-(2-phenylpropan-2-yl)phenol
CID 19993999
1-hexyl-4-methylbenzene;toluene
CID 173071388
1-tert-butyl-4-undecylbenzene
CID 162402478
1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-phenylpropan-2-ylbenzene
CID 159374079
1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane
CID 164906830
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene
CID 145196769
1-methyl-4-(4-octylphenoxy)benzene
CID 174658357
1,4-diethylbenzene;bis(1-ethyl-4-methylbenzene);1-ethyl-4-propylbenzene;bis(1-methyl-4-pentylbenzene);1,4-xylene
CID 165022765

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;1-hexyl-4-[2-(4-hexylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-octyl-4-[2-(4-octylphenyl)propan-2-yl]benzene;2-phenylpropan-2-ylbenzene?
The IUPAC name of 1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;1-hexyl-4-[2-(4-hexylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-octyl-4-[2-(4-octylphenyl)propan-2-yl]benzene;2-phenylpropan-2-ylbenzene (CID 159157615) is 1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;1-hexyl-4-[2-(4-hexylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-octyl-4-[2-(4-octylphenyl)propan-2-yl]benzene;2-phenylpropan-2-ylbenzene.
What is the SMILES notation for 1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;1-hexyl-4-[2-(4-hexylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-octyl-4-[2-(4-octylphenyl)propan-2-yl]benzene;2-phenylpropan-2-ylbenzene?
The canonical SMILES for 1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;1-hexyl-4-[2-(4-hexylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-octyl-4-[2-(4-octylphenyl)propan-2-yl]benzene;2-phenylpropan-2-ylbenzene is CC(C)(C)c1ccc(C(C)(C)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(c1ccccc1)c1ccccc1.CCCCCCCCc1ccc(C(C)(C)c2ccc(CCCCCCCC)cc2)cc1.CCCCCCc1ccc(C(C)(C)c2ccc(CCCCCC)cc2)cc1.CCc1ccc(C(C)(C)c2ccc(CC)cc2)cc1.COc1ccc(C(C)(C)c2ccccc2)cc1.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.[CH2+]C(C)(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of 1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;1-hexyl-4-[2-(4-hexylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-octyl-4-[2-(4-octylphenyl)propan-2-yl]benzene;2-phenylpropan-2-ylbenzene?
The InChIKey is KKBYVEZFJJHZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H48.C27H40.C23H32.C19H24.C17H19O2.C17H20.C16H18O.C15H16/c1-5-7-9-11-13-15-17-27-19-23-29(24-20-27)31(3,4)30-25-21-28(22-26-30)18-16-14-12-10-8-6-2;1-5-7-9-11-13-23-15-19-25(20-16-23)27(3,4)26-21-17-24(18-22-26)14-12-10-8-6-2;1-21(2,3)17-9-13-19(14-10-17)23(7,8)20-15-11-18(12-16-20)22(4,5)6;1-5-15-7-11-17(12-8-15)19(3,4)18-13-9-16(6-2)10-14-18;1-17(2,13-5-9-15(18-3)10-6-13)14-7-11-16(19-4)12-8-14;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-16(2,13-7-5-4-6-8-13)14-9-11-15(17-3)12-10-14;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h19-26H,5-18H2,1-4H3;15-22H,5-14H2,1-4H3;9-16H,1-8H3;7-14H,5-6H2,1-4H3;5-12H,1H2,2-4H3;5-12H,1-4H3;4-12H,1-3H3;3-12H,1-2H3/q;;;;+1;;;.
What are the key properties of 1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;1-hexyl-4-[2-(4-hexylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-octyl-4-[2-(4-octylphenyl)propan-2-yl]benzene;2-phenylpropan-2-ylbenzene?
1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;1-hexyl-4-[2-(4-hexylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-octyl-4-[2-(4-octylphenyl)propan-2-yl]benzene;2-phenylpropan-2-ylbenzene has a molecular weight of 2248.55 g/mol, XLogP of 46.33, 45 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;1-hexyl-4-[2-(4-hexylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-octyl-4-[2-(4-octylphenyl)propan-2-yl]benzene;2-phenylpropan-2-ylbenzene is sourced from PubChem (CID 159157615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).