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

C97H138O — CID 123210298

IUPAC1-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
SMILESCC(C)(C)c1ccc(C(C)(C)c2ccc(C(C)(C)C)cc2)cc1.CCCCCCCCc1ccc(C(C)(C)c2ccc(CCCCCCCC)cc2)cc1.CCCCCCc1ccc(C(C)(C)c2ccc(CCCCCC)cc2)cc1.COc1ccc(C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C31H48.C27H40.C23H32.C16H18O/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;1-16(2,13-7-5-4-6-8-13)14-9-11-15(17-3)12-10-14/h19-26H,5-18H2,1-4H3;15-22H,5-14H2,1-4H3;9-16H,1-8H3;4-12H,1-3H3
InChIKeyDLASYHVLCZHHCI-UHFFFAOYSA-N
MW1320.17 g/mol
LogP28.71
Rot. Bonds33

About 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

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 (PubChem CID 123210298) has the molecular formula C97H138O and a molecular weight of 1320.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID123210298
Molecular FormulaC97H138O
Molecular Weight1320.17 g/mol
Exact Mass1319.07
IUPAC Name1-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
SMILESCC(C)(C)c1ccc(C(C)(C)c2ccc(C(C)(C)C)cc2)cc1.CCCCCCCCc1ccc(C(C)(C)c2ccc(CCCCCCCC)cc2)cc1.CCCCCCc1ccc(C(C)(C)c2ccc(CCCCCC)cc2)cc1.COc1ccc(C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C31H48.C27H40.C23H32.C16H18O/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;1-16(2,13-7-5-4-6-8-13)14-9-11-15(17-3)12-10-14/h19-26H,5-18H2,1-4H3;15-22H,5-14H2,1-4H3;9-16H,1-8H3;4-12H,1-3H3
InChIKeyDLASYHVLCZHHCI-UHFFFAOYSA-N
XLogP28.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds33
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001320.17
LogP ≤ 528.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
4-nonylphenol;4-(2-phenylpropan-2-yl)phenol
CID 19993999
1-tert-butyl-4-undecylbenzene
CID 162402478
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-(4-heptylphenyl)-1-phenylethanol
CID 59545473
2-(4-hexylphenoxy)-4,6-diphenoxy-1,3,5-triazine;2,4,6-tris(4-methoxyphenoxy)-1,3,5-triazine
CID 167563213
1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
CID 159793185
(4-methoxyphenyl)-phenylmethanone;(4-octylphenyl)-phenylmethanone
CID 67686863
1-methoxy-4-(5-pentoxypentyl)benzene
CID 54554044
1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene
CID 145196769
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(C(C)(C)c2ccc(C(C)(C)C)cc2)cc1.CCCCCCCCc1ccc(C(C)(C)c2ccc(CCCCCCCC)cc2)cc1.CCCCCCc1ccc(C(C)(C)c2ccc(CCCCCC)cc2)cc1.COc1ccc(C(C)(C)c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is DLASYHVLCZHHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H48.C27H40.C23H32.C16H18O/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;1-16(2,13-7-5-4-6-8-13)14-9-11-15(17-3)12-10-14/h19-26H,5-18H2,1-4H3;15-22H,5-14H2,1-4H3;9-16H,1-8H3;4-12H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1320.17 g/mol, XLogP of 28.71, 33 rotatable bonds, 0 hydrogen bond donors, and 1 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-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 is sourced from PubChem (CID 123210298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).