1-(1,2-diphenylpropan-2-yl)-2-ethylbenzene

C23H24 — CID 173399358

IUPAC1-(1,2-diphenylpropan-2-yl)-2-ethylbenzene
SMILESCCc1ccccc1C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H24/c1-3-20-14-10-11-17-22(20)23(2,21-15-8-5-9-16-21)18-19-12-6-4-7-13-19/h4-17H,3,18H2,1-2H3
InChIKeyZJFXKSOMURMLML-UHFFFAOYSA-N
MW300.45 g/mol
LogP5.80
Rot. Bonds5

About 1-(1,2-diphenylpropan-2-yl)-2-ethylbenzene

1-(1,2-diphenylpropan-2-yl)-2-ethylbenzene (PubChem CID 173399358) has the molecular formula C23H24 and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-(1,2-diphenylpropan-2-yl)-2-ethylbenzene.

Molecular Properties

Compound Name1-(1,2-diphenylpropan-2-yl)-2-ethylbenzene
PubChem CID173399358
Molecular FormulaC23H24
Molecular Weight300.45 g/mol
Exact Mass300.19
IUPAC Name1-(1,2-diphenylpropan-2-yl)-2-ethylbenzene
SMILESCCc1ccccc1C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H24/c1-3-20-14-10-11-17-22(20)23(2,21-15-8-5-9-16-21)18-19-12-6-4-7-13-19/h4-17H,3,18H2,1-2H3
InChIKeyZJFXKSOMURMLML-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.45
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-diphenylpropan-2-yl)-2-ethylbenzene?
The IUPAC name of 1-(1,2-diphenylpropan-2-yl)-2-ethylbenzene (CID 173399358) is 1-(1,2-diphenylpropan-2-yl)-2-ethylbenzene.
What is the SMILES notation for 1-(1,2-diphenylpropan-2-yl)-2-ethylbenzene?
The canonical SMILES for 1-(1,2-diphenylpropan-2-yl)-2-ethylbenzene is CCc1ccccc1C(C)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(1,2-diphenylpropan-2-yl)-2-ethylbenzene?
The InChIKey is ZJFXKSOMURMLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24/c1-3-20-14-10-11-17-22(20)23(2,21-15-8-5-9-16-21)18-19-12-6-4-7-13-19/h4-17H,3,18H2,1-2H3.
What are the key properties of 1-(1,2-diphenylpropan-2-yl)-2-ethylbenzene?
1-(1,2-diphenylpropan-2-yl)-2-ethylbenzene has a molecular weight of 300.45 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-diphenylpropan-2-yl)-2-ethylbenzene is sourced from PubChem (CID 173399358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).