1-methyl-3-(2-methylphenyl)-2-(2-phenylethyl)benzene

C22H22 — CID 173430520

IUPAC1-methyl-3-(2-methylphenyl)-2-(2-phenylethyl)benzene
SMILESCc1ccccc1-c1cccc(C)c1CCc1ccccc1
InChIInChI=1S/C22H22/c1-17-9-6-7-13-20(17)22-14-8-10-18(2)21(22)16-15-19-11-4-3-5-12-19/h3-14H,15-16H2,1-2H3
InChIKeyZTBAVYVLIBFZQY-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.76
Rot. Bonds4

About 1-methyl-3-(2-methylphenyl)-2-(2-phenylethyl)benzene

1-methyl-3-(2-methylphenyl)-2-(2-phenylethyl)benzene (PubChem CID 173430520) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-methyl-3-(2-methylphenyl)-2-(2-phenylethyl)benzene.

Molecular Properties

Compound Name1-methyl-3-(2-methylphenyl)-2-(2-phenylethyl)benzene
PubChem CID173430520
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name1-methyl-3-(2-methylphenyl)-2-(2-phenylethyl)benzene
SMILESCc1ccccc1-c1cccc(C)c1CCc1ccccc1
InChIInChI=1S/C22H22/c1-17-9-6-7-13-20(17)22-14-8-10-18(2)21(22)16-15-19-11-4-3-5-12-19/h3-14H,15-16H2,1-2H3
InChIKeyZTBAVYVLIBFZQY-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;2-ethyl-1-methyl-3-(2-methylphenyl)benzene
CID 144910624
1,3-dimethyl-2-[2-(4-methylphenyl)ethyl]benzene
CID 143282666
1,2,4,5-tetramethyl-3-(2-phenylethyl)benzene
CID 590366
[3-methyl-2-(2-phenylethyl)phenyl] hydrogen carbonate
CID 168918761
benzene;2-phenylethylbenzene
CID 18982764
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
ethane;methane;2-phenylethylbenzene
CID 158652330
1,3-diethyl-2-(2-phenylethyl)benzene
CID 14325369
hafnium;2-phenylethylbenzene
CID 173109801
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
dimethylsilane;1-methyl-2-(2-methylphenyl)benzene
CID 162166796
7-methyl-3-(2-phenylethyl)-1H-indole
CID 174735389

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylphenyl)-2-(2-phenylethyl)benzene?
The IUPAC name of 1-methyl-3-(2-methylphenyl)-2-(2-phenylethyl)benzene (CID 173430520) is 1-methyl-3-(2-methylphenyl)-2-(2-phenylethyl)benzene.
What is the SMILES notation for 1-methyl-3-(2-methylphenyl)-2-(2-phenylethyl)benzene?
The canonical SMILES for 1-methyl-3-(2-methylphenyl)-2-(2-phenylethyl)benzene is Cc1ccccc1-c1cccc(C)c1CCc1ccccc1.
What is the InChIKey of 1-methyl-3-(2-methylphenyl)-2-(2-phenylethyl)benzene?
The InChIKey is ZTBAVYVLIBFZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22/c1-17-9-6-7-13-20(17)22-14-8-10-18(2)21(22)16-15-19-11-4-3-5-12-19/h3-14H,15-16H2,1-2H3.
What are the key properties of 1-methyl-3-(2-methylphenyl)-2-(2-phenylethyl)benzene?
1-methyl-3-(2-methylphenyl)-2-(2-phenylethyl)benzene has a molecular weight of 286.42 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylphenyl)-2-(2-phenylethyl)benzene is sourced from PubChem (CID 173430520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).