1,1-diphenylpropan-2-ylbenzene

C21H20 — CID 3664636

IUPAC1,1-diphenylpropan-2-ylbenzene
SMILESCC(c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20/c1-17(18-11-5-2-6-12-18)21(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21H,1H3
InChIKeyUVGJVHUDMMBHRM-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.62
Rot. Bonds4

About 1,1-diphenylpropan-2-ylbenzene

1,1-diphenylpropan-2-ylbenzene (PubChem CID 3664636) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1,1-diphenylpropan-2-ylbenzene.

Molecular Properties

Compound Name1,1-diphenylpropan-2-ylbenzene
PubChem CID3664636
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name1,1-diphenylpropan-2-ylbenzene
SMILESCC(c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20/c1-17(18-11-5-2-6-12-18)21(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21H,1H3
InChIKeyUVGJVHUDMMBHRM-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.39
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;[(2S)-3-phenylbutan-2-yl]benzene
CID 143602107
methane;[(2S)-3-methylbutan-2-yl]benzene;[(2R)-3-methylbutan-2-yl]benzene
CID 162029093
dilithium;hydride;(2-methyl-1,3,3-triphenylpropyl)benzene
CID 173113616
3-fluorobutan-2-ylbenzene
CID 159211068
(3-methyl-1,1-diphenylbutan-2-yl)benzene
CID 91598963
propan-2-ylcyclodecapentaene
CID 123508933
benzene;cumene
CID 157215889
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene
CID 142851428
cumene
CID 161227923
2-fluoro-3-phenylbutan-1-amine
CID 126843894
2-methyl-3-phenylbutanal
CID 3024886

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylpropan-2-ylbenzene?
The IUPAC name of 1,1-diphenylpropan-2-ylbenzene (CID 3664636) is 1,1-diphenylpropan-2-ylbenzene.
What is the SMILES notation for 1,1-diphenylpropan-2-ylbenzene?
The canonical SMILES for 1,1-diphenylpropan-2-ylbenzene is CC(c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenylpropan-2-ylbenzene?
The InChIKey is UVGJVHUDMMBHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20/c1-17(18-11-5-2-6-12-18)21(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21H,1H3.
What are the key properties of 1,1-diphenylpropan-2-ylbenzene?
1,1-diphenylpropan-2-ylbenzene has a molecular weight of 272.39 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylpropan-2-ylbenzene is sourced from PubChem (CID 3664636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).