(2-benzyl-3-phenylpropyl)benzene

C22H22 — CID 2750001

IUPAC(2-benzyl-3-phenylpropyl)benzene
SMILESc1ccc(CC(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C22H22/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15,22H,16-18H2
InChIKeyLWYFYULAXDMTQV-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.33
Rot. Bonds6

About (2-benzyl-3-phenylpropyl)benzene

(2-benzyl-3-phenylpropyl)benzene (PubChem CID 2750001) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is (2-benzyl-3-phenylpropyl)benzene.

Molecular Properties

Compound Name(2-benzyl-3-phenylpropyl)benzene
PubChem CID2750001
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name(2-benzyl-3-phenylpropyl)benzene
SMILESc1ccc(CC(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C22H22/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15,22H,16-18H2
InChIKeyLWYFYULAXDMTQV-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2-benzyl-3-phenylpropyl)benzene?
The IUPAC name of (2-benzyl-3-phenylpropyl)benzene (CID 2750001) is (2-benzyl-3-phenylpropyl)benzene.
What is the SMILES notation for (2-benzyl-3-phenylpropyl)benzene?
The canonical SMILES for (2-benzyl-3-phenylpropyl)benzene is c1ccc(CC(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of (2-benzyl-3-phenylpropyl)benzene?
The InChIKey is LWYFYULAXDMTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15,22H,16-18H2.
What are the key properties of (2-benzyl-3-phenylpropyl)benzene?
(2-benzyl-3-phenylpropyl)benzene has a molecular weight of 286.42 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-3-phenylpropyl)benzene is sourced from PubChem (CID 2750001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).