4-methyl-2-phenyl-1-(1-phenylethyl)benzene

C21H20 — CID 123164572

IUPAC4-methyl-2-phenyl-1-(1-phenylethyl)benzene
SMILESCc1ccc(C(C)c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C21H20/c1-16-13-14-20(17(2)18-9-5-3-6-10-18)21(15-16)19-11-7-4-8-12-19/h3-15,17H,1-2H3
InChIKeyMTHDOFOCIVFJPI-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.81
Rot. Bonds3

About 4-methyl-2-phenyl-1-(1-phenylethyl)benzene

4-methyl-2-phenyl-1-(1-phenylethyl)benzene (PubChem CID 123164572) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-methyl-2-phenyl-1-(1-phenylethyl)benzene.

Molecular Properties

Compound Name4-methyl-2-phenyl-1-(1-phenylethyl)benzene
PubChem CID123164572
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name4-methyl-2-phenyl-1-(1-phenylethyl)benzene
SMILESCc1ccc(C(C)c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C21H20/c1-16-13-14-20(17(2)18-9-5-3-6-10-18)21(15-16)19-11-7-4-8-12-19/h3-15,17H,1-2H3
InChIKeyMTHDOFOCIVFJPI-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.39
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;methane;1-methyl-4-[2-(1-phenylethyl)phenyl]benzene
CID 143650226
2-(4-methylphenyl)-4-phenyl-1-propan-2-ylbenzene
CID 163504482
4-methyl-2-(1-phenylethyl)benzenethiol
CID 24822888
4-methyl-1-phenyl-2-(2-phenylphenyl)benzene
CID 59171641
4-methyl-2,6-bis(1-phenylethyl)aniline;4-methyl-2,6-bis[(1R)-1-phenylethyl]aniline
CID 162252807
2-methyl-1,3-bis(1-phenylethyl)benzene
CID 58862393
5-methyl-1,3-diphenyl-2-propan-2-ylbenzene
CID 140664566
1-benzhydryl-4-methylbenzene;1,1'-biphenyl;ethane;1-phenylethylbenzene
CID 161255951
2-hydroxy-4-phenyl-5-(1-phenylethyl)benzenesulfonic acid
CID 54384791
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene
CID 142851428
ethane;ethenone;1-methyl-5-(4-methylphenyl)-4-(1-phenylethyl)-2-propylbenzene;propane
CID 142158442

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-1-(1-phenylethyl)benzene?
The IUPAC name of 4-methyl-2-phenyl-1-(1-phenylethyl)benzene (CID 123164572) is 4-methyl-2-phenyl-1-(1-phenylethyl)benzene.
What is the SMILES notation for 4-methyl-2-phenyl-1-(1-phenylethyl)benzene?
The canonical SMILES for 4-methyl-2-phenyl-1-(1-phenylethyl)benzene is Cc1ccc(C(C)c2ccccc2)c(-c2ccccc2)c1.
What is the InChIKey of 4-methyl-2-phenyl-1-(1-phenylethyl)benzene?
The InChIKey is MTHDOFOCIVFJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20/c1-16-13-14-20(17(2)18-9-5-3-6-10-18)21(15-16)19-11-7-4-8-12-19/h3-15,17H,1-2H3.
What are the key properties of 4-methyl-2-phenyl-1-(1-phenylethyl)benzene?
4-methyl-2-phenyl-1-(1-phenylethyl)benzene has a molecular weight of 272.39 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-1-(1-phenylethyl)benzene is sourced from PubChem (CID 123164572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).