[(2S)-1,1-diphenylbutan-2-yl]benzene

C22H22 — CID 101326862

IUPAC[(2S)-1,1-diphenylbutan-2-yl]benzene
SMILESCC[C@H](c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22/c1-2-21(18-12-6-3-7-13-18)22(19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,21-22H,2H2,1H3/t21-/m1/s1
InChIKeyXOQKVDSJNTUZHD-OAQYLSRUSA-N
MW286.42 g/mol
LogP6.01
Rot. Bonds5

About [(2S)-1,1-diphenylbutan-2-yl]benzene

[(2S)-1,1-diphenylbutan-2-yl]benzene (PubChem CID 101326862) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is [(2S)-1,1-diphenylbutan-2-yl]benzene.

Molecular Properties

Compound Name[(2S)-1,1-diphenylbutan-2-yl]benzene
PubChem CID101326862
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name[(2S)-1,1-diphenylbutan-2-yl]benzene
SMILESCC[C@H](c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22/c1-2-21(18-12-6-3-7-13-18)22(19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,21-22H,2H2,1H3/t21-/m1/s1
InChIKeyXOQKVDSJNTUZHD-OAQYLSRUSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2S)-3-phenylpentan-2-ol
CID 45048673
2,3,3-triphenylpropan-1-amine
CID 11781172
(4-bromo-5-methylhexan-3-yl)benzene
CID 79298678
1-chloro-4-[1-(4-ethoxyphenyl)-2-phenylbutyl]benzene
CID 18518445
3,4-diphenylhexanoic acid
CID 153127747
3-methyl-5-phenylheptan-4-amine
CID 105017445
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
[(3R)-4-methylhex-5-yn-3-yl]benzene;propane;hydroiodide
CID 143352483
2-ethyl-3-phenylpentanamide
CID 59893710
3-phenyl-N-propylpentan-2-amine
CID 66438754
1-(1-bromo-2-phenylbutyl)-4-fluorobenzene
CID 63437368
5-phenylhept-2-en-4-amine
CID 174938173

Frequently Asked Questions

What is the IUPAC name of [(2S)-1,1-diphenylbutan-2-yl]benzene?
The IUPAC name of [(2S)-1,1-diphenylbutan-2-yl]benzene (CID 101326862) is [(2S)-1,1-diphenylbutan-2-yl]benzene.
What is the SMILES notation for [(2S)-1,1-diphenylbutan-2-yl]benzene?
The canonical SMILES for [(2S)-1,1-diphenylbutan-2-yl]benzene is CC[C@H](c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-1,1-diphenylbutan-2-yl]benzene?
The InChIKey is XOQKVDSJNTUZHD-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H22/c1-2-21(18-12-6-3-7-13-18)22(19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,21-22H,2H2,1H3/t21-/m1/s1.
What are the key properties of [(2S)-1,1-diphenylbutan-2-yl]benzene?
[(2S)-1,1-diphenylbutan-2-yl]benzene has a molecular weight of 286.42 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1,1-diphenylbutan-2-yl]benzene is sourced from PubChem (CID 101326862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).