5-methyl-1,3-diphenyl-2-propan-2-ylbenzene

C22H22 — CID 140664566

IUPAC5-methyl-1,3-diphenyl-2-propan-2-ylbenzene
SMILESCc1cc(-c2ccccc2)c(C(C)C)c(-c2ccccc2)c1
InChIInChI=1S/C22H22/c1-16(2)22-20(18-10-6-4-7-11-18)14-17(3)15-21(22)19-12-8-5-9-13-19/h4-16H,1-3H3
InChIKeyZKOWWUIFSQEKJE-UHFFFAOYSA-N
MW286.42 g/mol
LogP6.45
Rot. Bonds3

About 5-methyl-1,3-diphenyl-2-propan-2-ylbenzene

5-methyl-1,3-diphenyl-2-propan-2-ylbenzene (PubChem CID 140664566) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 5-methyl-1,3-diphenyl-2-propan-2-ylbenzene.

Molecular Properties

Compound Name5-methyl-1,3-diphenyl-2-propan-2-ylbenzene
PubChem CID140664566
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name5-methyl-1,3-diphenyl-2-propan-2-ylbenzene
SMILESCc1cc(-c2ccccc2)c(C(C)C)c(-c2ccccc2)c1
InChIInChI=1S/C22H22/c1-16(2)22-20(18-10-6-4-7-11-18)14-17(3)15-21(22)19-12-8-5-9-13-19/h4-16H,1-3H3
InChIKeyZKOWWUIFSQEKJE-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-diphenyl-2-propan-2-ylbenzene?
The IUPAC name of 5-methyl-1,3-diphenyl-2-propan-2-ylbenzene (CID 140664566) is 5-methyl-1,3-diphenyl-2-propan-2-ylbenzene.
What is the SMILES notation for 5-methyl-1,3-diphenyl-2-propan-2-ylbenzene?
The canonical SMILES for 5-methyl-1,3-diphenyl-2-propan-2-ylbenzene is Cc1cc(-c2ccccc2)c(C(C)C)c(-c2ccccc2)c1.
What is the InChIKey of 5-methyl-1,3-diphenyl-2-propan-2-ylbenzene?
The InChIKey is ZKOWWUIFSQEKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22/c1-16(2)22-20(18-10-6-4-7-11-18)14-17(3)15-21(22)19-12-8-5-9-13-19/h4-16H,1-3H3.
What are the key properties of 5-methyl-1,3-diphenyl-2-propan-2-ylbenzene?
5-methyl-1,3-diphenyl-2-propan-2-ylbenzene has a molecular weight of 286.42 g/mol, XLogP of 6.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-diphenyl-2-propan-2-ylbenzene is sourced from PubChem (CID 140664566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).