1-methyl-4-[2-[4-[2-(4-methylphenyl)butan-2-yl]phenyl]propan-2-yl]benzene

C27H32 — CID 145063959

IUPAC1-methyl-4-[2-[4-[2-(4-methylphenyl)butan-2-yl]phenyl]propan-2-yl]benzene
SMILESCCC(C)(c1ccc(C)cc1)c1ccc(C(C)(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H32/c1-7-27(6,24-14-10-21(3)11-15-24)25-18-16-23(17-19-25)26(4,5)22-12-8-20(2)9-13-22/h8-19H,7H2,1-6H3
InChIKeyBXSHMPOONYKPQM-UHFFFAOYSA-N
MW356.55 g/mol
LogP7.35
Rot. Bonds5

About 1-methyl-4-[2-[4-[2-(4-methylphenyl)butan-2-yl]phenyl]propan-2-yl]benzene

1-methyl-4-[2-[4-[2-(4-methylphenyl)butan-2-yl]phenyl]propan-2-yl]benzene (PubChem CID 145063959) has the molecular formula C27H32 and a molecular weight of 356.55 g/mol. Its IUPAC name is 1-methyl-4-[2-[4-[2-(4-methylphenyl)butan-2-yl]phenyl]propan-2-yl]benzene.

Molecular Properties

Compound Name1-methyl-4-[2-[4-[2-(4-methylphenyl)butan-2-yl]phenyl]propan-2-yl]benzene
PubChem CID145063959
Molecular FormulaC27H32
Molecular Weight356.55 g/mol
Exact Mass356.25
IUPAC Name1-methyl-4-[2-[4-[2-(4-methylphenyl)butan-2-yl]phenyl]propan-2-yl]benzene
SMILESCCC(C)(c1ccc(C)cc1)c1ccc(C(C)(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H32/c1-7-27(6,24-14-10-21(3)11-15-24)25-18-16-23(17-19-25)26(4,5)22-12-8-20(2)9-13-22/h8-19H,7H2,1-6H3
InChIKeyBXSHMPOONYKPQM-UHFFFAOYSA-N
XLogP7.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-(2-phenylbutan-2-yl)benzene
CID 173298051
1-(2-phenylbutan-2-yl)-4-[4-(2-phenylpropan-2-yl)phenyl]benzene
CID 173279363
butane;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;propane
CID 159232750
1,4-diethylbenzene;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 159662015
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-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;methanol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 159025923
1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene
CID 163745611
1-[3,4-dimethyl-4-(4-methylphenyl)hexan-3-yl]-4-methylbenzene
CID 22277896
4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 58381771
4-[2-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene
CID 159088211
3-methyl-3-(4-methylphenyl)pentan-1-amine
CID 126514675

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[4-[2-(4-methylphenyl)butan-2-yl]phenyl]propan-2-yl]benzene?
The IUPAC name of 1-methyl-4-[2-[4-[2-(4-methylphenyl)butan-2-yl]phenyl]propan-2-yl]benzene (CID 145063959) is 1-methyl-4-[2-[4-[2-(4-methylphenyl)butan-2-yl]phenyl]propan-2-yl]benzene.
What is the SMILES notation for 1-methyl-4-[2-[4-[2-(4-methylphenyl)butan-2-yl]phenyl]propan-2-yl]benzene?
The canonical SMILES for 1-methyl-4-[2-[4-[2-(4-methylphenyl)butan-2-yl]phenyl]propan-2-yl]benzene is CCC(C)(c1ccc(C)cc1)c1ccc(C(C)(C)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-methyl-4-[2-[4-[2-(4-methylphenyl)butan-2-yl]phenyl]propan-2-yl]benzene?
The InChIKey is BXSHMPOONYKPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32/c1-7-27(6,24-14-10-21(3)11-15-24)25-18-16-23(17-19-25)26(4,5)22-12-8-20(2)9-13-22/h8-19H,7H2,1-6H3.
What are the key properties of 1-methyl-4-[2-[4-[2-(4-methylphenyl)butan-2-yl]phenyl]propan-2-yl]benzene?
1-methyl-4-[2-[4-[2-(4-methylphenyl)butan-2-yl]phenyl]propan-2-yl]benzene has a molecular weight of 356.55 g/mol, XLogP of 7.35, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[4-[2-(4-methylphenyl)butan-2-yl]phenyl]propan-2-yl]benzene is sourced from PubChem (CID 145063959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).