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

C148H184IO3+ — CID 161076268

IUPACbenzylbenzene;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
SMILESCC(C)(C)c1ccc(Cc2ccc(C(C)(C)C)cc2)cc1.CCCCCCCCc1ccc(Cc2ccc(CCCCCCCC)cc2)cc1.CCCCCCc1ccc(Cc2ccc(CCCCCC)cc2)cc1.CCc1ccc(Cc2ccc(CC)cc2)cc1.COc1ccc(Cc2ccccc2)cc1.COc1ccc([I+]c2ccc(CO)cc2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C29H44.C25H36.C21H28.C17H20.C15H16.C14H14IO2.C14H14O.C13H12/c1-3-5-7-9-11-13-15-26-17-21-28(22-18-26)25-29-23-19-27(20-24-29)16-14-12-10-8-6-4-2;1-3-5-7-9-11-22-13-17-24(18-14-22)21-25-19-15-23(16-20-25)12-10-8-6-4-2;1-20(2,3)18-11-7-16(8-12-18)15-17-9-13-19(14-10-17)21(4,5)6;1-3-14-5-9-16(10-6-14)13-17-11-7-15(4-2)8-12-17;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-17-14-8-6-13(7-9-14)15-12-4-2-11(10-16)3-5-12;1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h17-24H,3-16,25H2,1-2H3;13-20H,3-12,21H2,1-2H3;7-14H,15H2,1-6H3;5-12H,3-4,13H2,1-2H3;3-10H,11H2,1-2H3;2-9,16H,10H2,1H3;2-10H,11H2,1H3;1-10H,11H2/q;;;;;+1;;
InChIKeyUFHWTGHOZFNCIF-UHFFFAOYSA-N
MW2138.00 g/mol
LogP36.65
Rot. Bonds45

About 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

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 (PubChem CID 161076268) has the molecular formula C148H184IO3+ and a molecular weight of 2138.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebenzylbenzene;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
PubChem CID161076268
Molecular FormulaC148H184IO3+
Molecular Weight2138.00 g/mol
Exact Mass2136.33
IUPAC Namebenzylbenzene;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
SMILESCC(C)(C)c1ccc(Cc2ccc(C(C)(C)C)cc2)cc1.CCCCCCCCc1ccc(Cc2ccc(CCCCCCCC)cc2)cc1.CCCCCCc1ccc(Cc2ccc(CCCCCC)cc2)cc1.CCc1ccc(Cc2ccc(CC)cc2)cc1.COc1ccc(Cc2ccccc2)cc1.COc1ccc([I+]c2ccc(CO)cc2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C29H44.C25H36.C21H28.C17H20.C15H16.C14H14IO2.C14H14O.C13H12/c1-3-5-7-9-11-13-15-26-17-21-28(22-18-26)25-29-23-19-27(20-24-29)16-14-12-10-8-6-4-2;1-3-5-7-9-11-22-13-17-24(18-14-22)21-25-19-15-23(16-20-25)12-10-8-6-4-2;1-20(2,3)18-11-7-16(8-12-18)15-17-9-13-19(14-10-17)21(4,5)6;1-3-14-5-9-16(10-6-14)13-17-11-7-15(4-2)8-12-17;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-17-14-8-6-13(7-9-14)15-12-4-2-11(10-16)3-5-12;1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h17-24H,3-16,25H2,1-2H3;13-20H,3-12,21H2,1-2H3;7-14H,15H2,1-6H3;5-12H,3-4,13H2,1-2H3;3-10H,11H2,1-2H3;2-9,16H,10H2,1H3;2-10H,11H2,1H3;1-10H,11H2/q;;;;;+1;;
InChIKeyUFHWTGHOZFNCIF-UHFFFAOYSA-N
XLogP36.65
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds45
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002138.00
LogP ≤ 536.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
(4-octylphenyl)-phenyliodanium
CID 16696664
[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium
CID 87105153
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
1-hexyl-4-methylbenzene;toluene
CID 173071388
1-tert-butyl-4-undecylbenzene
CID 162402478
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
CID 159793185
1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane
CID 164906830
(4-methoxyphenyl)-phenylmethanone;(4-octylphenyl)-phenylmethanone
CID 67686863
1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene
CID 145196769

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(Cc2ccc(C(C)(C)C)cc2)cc1.CCCCCCCCc1ccc(Cc2ccc(CCCCCCCC)cc2)cc1.CCCCCCc1ccc(Cc2ccc(CCCCCC)cc2)cc1.CCc1ccc(Cc2ccc(CC)cc2)cc1.COc1ccc(Cc2ccccc2)cc1.COc1ccc([I+]c2ccc(CO)cc2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is UFHWTGHOZFNCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44.C25H36.C21H28.C17H20.C15H16.C14H14IO2.C14H14O.C13H12/c1-3-5-7-9-11-13-15-26-17-21-28(22-18-26)25-29-23-19-27(20-24-29)16-14-12-10-8-6-4-2;1-3-5-7-9-11-22-13-17-24(18-14-22)21-25-19-15-23(16-20-25)12-10-8-6-4-2;1-20(2,3)18-11-7-16(8-12-18)15-17-9-13-19(14-10-17)21(4,5)6;1-3-14-5-9-16(10-6-14)13-17-11-7-15(4-2)8-12-17;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-17-14-8-6-13(7-9-14)15-12-4-2-11(10-16)3-5-12;1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h17-24H,3-16,25H2,1-2H3;13-20H,3-12,21H2,1-2H3;7-14H,15H2,1-6H3;5-12H,3-4,13H2,1-2H3;3-10H,11H2,1-2H3;2-9,16H,10H2,1H3;2-10H,11H2,1H3;1-10H,11H2/q;;;;;+1;;.
What are the key properties of 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?
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 has a molecular weight of 2138.00 g/mol, XLogP of 36.65, 45 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161076268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).