1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene

C66H74 — CID 159818582

IUPAC1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene
SMILESCc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccccc3)cc2)cc1.Cc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccccc3)c2)cc1.Cc1ccc(C(C)(C)c2ccccc2)cc1
InChIInChI=1S/2C25H28.C16H18/c1-19-14-16-21(17-15-19)25(4,5)23-13-9-12-22(18-23)24(2,3)20-10-7-6-8-11-20;1-19-11-13-21(14-12-19)25(4,5)23-17-15-22(16-18-23)24(2,3)20-9-7-6-8-10-20;1-13-9-11-15(12-10-13)16(2,3)14-7-5-4-6-8-14/h2*6-18H,1-5H3;4-12H,1-3H3
InChIKeyNLYAXRWKJKUMAC-UHFFFAOYSA-N
MW867.32 g/mol
LogP17.61
Rot. Bonds10

About 1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene

1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene (PubChem CID 159818582) has the molecular formula C66H74 and a molecular weight of 867.32 g/mol. Its IUPAC name is 1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene.

Molecular Properties

Compound Name1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene
PubChem CID159818582
Molecular FormulaC66H74
Molecular Weight867.32 g/mol
Exact Mass866.58
IUPAC Name1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene
SMILESCc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccccc3)cc2)cc1.Cc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccccc3)c2)cc1.Cc1ccc(C(C)(C)c2ccccc2)cc1
InChIInChI=1S/2C25H28.C16H18/c1-19-14-16-21(17-15-19)25(4,5)23-13-9-12-22(18-23)24(2,3)20-10-7-6-8-11-20;1-19-11-13-21(14-12-19)25(4,5)23-17-15-22(16-18-23)24(2,3)20-9-7-6-8-10-20;1-13-9-11-15(12-10-13)16(2,3)14-7-5-4-6-8-14/h2*6-18H,1-5H3;4-12H,1-3H3
InChIKeyNLYAXRWKJKUMAC-UHFFFAOYSA-N
XLogP17.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.32
LogP ≤ 517.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene with MolForge

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Related Compounds

1-(4-methylphenoxy)-4-[4-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]phenoxy]benzene
CID 159990763
2-phenylpropan-2-ylbenzene
CID 13065
ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1,3-xylene;1,4-xylene
CID 167696402
1-methyl-4-[2-[3-[2-methyl-2-(4-methylphenyl)propyl]phenyl]propan-2-yl]benzene
CID 143650354
1-methyl-4-[2-(3-propylphenyl)propan-2-yl]benzene
CID 123328001
1-deuterio-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 158122818
1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
CID 159097892
ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 145481867
1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 20734477
1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene
CID 22957062
4-[2-(4-methylphenyl)propan-2-yl]benzene-1,2-diol
CID 125479229
4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 23033100

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene?
The IUPAC name of 1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene (CID 159818582) is 1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene.
What is the SMILES notation for 1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene?
The canonical SMILES for 1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene is Cc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccccc3)cc2)cc1.Cc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccccc3)c2)cc1.Cc1ccc(C(C)(C)c2ccccc2)cc1.
What is the InChIKey of 1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene?
The InChIKey is NLYAXRWKJKUMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H28.C16H18/c1-19-14-16-21(17-15-19)25(4,5)23-13-9-12-22(18-23)24(2,3)20-10-7-6-8-11-20;1-19-11-13-21(14-12-19)25(4,5)23-17-15-22(16-18-23)24(2,3)20-9-7-6-8-10-20;1-13-9-11-15(12-10-13)16(2,3)14-7-5-4-6-8-14/h2*6-18H,1-5H3;4-12H,1-3H3.
What are the key properties of 1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene?
1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene has a molecular weight of 867.32 g/mol, XLogP of 17.61, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene is sourced from PubChem (CID 159818582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).