1,3-bis(2-phenylethyl)benzene

C22H22 — CID 19790622

IUPAC1,3-bis(2-phenylethyl)benzene
SMILESc1ccc(CCc2cccc(CCc3ccccc3)c2)cc1
InChIInChI=1S/C22H22/c1-3-8-19(9-4-1)14-16-21-12-7-13-22(18-21)17-15-20-10-5-2-6-11-20/h1-13,18H,14-17H2
InChIKeyVRQMVGOYGOIVDT-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.26
Rot. Bonds6

About 1,3-bis(2-phenylethyl)benzene

1,3-bis(2-phenylethyl)benzene (PubChem CID 19790622) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1,3-bis(2-phenylethyl)benzene.

Molecular Properties

Compound Name1,3-bis(2-phenylethyl)benzene
PubChem CID19790622
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name1,3-bis(2-phenylethyl)benzene
SMILESc1ccc(CCc2cccc(CCc3ccccc3)c2)cc1
InChIInChI=1S/C22H22/c1-3-8-19(9-4-1)14-16-21-12-7-13-22(18-21)17-15-20-10-5-2-6-11-20/h1-13,18H,14-17H2
InChIKeyVRQMVGOYGOIVDT-UHFFFAOYSA-N
XLogP5.26
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 ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-phenylethyl)benzene?
The IUPAC name of 1,3-bis(2-phenylethyl)benzene (CID 19790622) is 1,3-bis(2-phenylethyl)benzene.
What is the SMILES notation for 1,3-bis(2-phenylethyl)benzene?
The canonical SMILES for 1,3-bis(2-phenylethyl)benzene is c1ccc(CCc2cccc(CCc3ccccc3)c2)cc1.
What is the InChIKey of 1,3-bis(2-phenylethyl)benzene?
The InChIKey is VRQMVGOYGOIVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22/c1-3-8-19(9-4-1)14-16-21-12-7-13-22(18-21)17-15-20-10-5-2-6-11-20/h1-13,18H,14-17H2.
What are the key properties of 1,3-bis(2-phenylethyl)benzene?
1,3-bis(2-phenylethyl)benzene has a molecular weight of 286.42 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-phenylethyl)benzene is sourced from PubChem (CID 19790622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).