[2-(2,2-diphenylethoxy)-1-phenylethyl]benzene

C28H26O — CID 15213441

IUPAC[2-(2,2-diphenylethoxy)-1-phenylethyl]benzene
SMILESc1ccc(C(COCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H26O/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-29-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-28H,21-22H2
InChIKeyLOSZMCYRAIYULU-UHFFFAOYSA-N
MW378.52 g/mol
LogP6.67
Rot. Bonds8

About [2-(2,2-diphenylethoxy)-1-phenylethyl]benzene

[2-(2,2-diphenylethoxy)-1-phenylethyl]benzene (PubChem CID 15213441) has the molecular formula C28H26O and a molecular weight of 378.52 g/mol. Its IUPAC name is [2-(2,2-diphenylethoxy)-1-phenylethyl]benzene.

Molecular Properties

Compound Name[2-(2,2-diphenylethoxy)-1-phenylethyl]benzene
PubChem CID15213441
Molecular FormulaC28H26O
Molecular Weight378.52 g/mol
Exact Mass378.20
IUPAC Name[2-(2,2-diphenylethoxy)-1-phenylethyl]benzene
SMILESc1ccc(C(COCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H26O/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-29-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-28H,21-22H2
InChIKeyLOSZMCYRAIYULU-UHFFFAOYSA-N
XLogP6.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2-diphenylethoxy)-1-phenylethyl]benzene?
The IUPAC name of [2-(2,2-diphenylethoxy)-1-phenylethyl]benzene (CID 15213441) is [2-(2,2-diphenylethoxy)-1-phenylethyl]benzene.
What is the SMILES notation for [2-(2,2-diphenylethoxy)-1-phenylethyl]benzene?
The canonical SMILES for [2-(2,2-diphenylethoxy)-1-phenylethyl]benzene is c1ccc(C(COCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [2-(2,2-diphenylethoxy)-1-phenylethyl]benzene?
The InChIKey is LOSZMCYRAIYULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-29-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-28H,21-22H2.
What are the key properties of [2-(2,2-diphenylethoxy)-1-phenylethyl]benzene?
[2-(2,2-diphenylethoxy)-1-phenylethyl]benzene has a molecular weight of 378.52 g/mol, XLogP of 6.67, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-diphenylethoxy)-1-phenylethyl]benzene is sourced from PubChem (CID 15213441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).