ethane;[(2S)-3-phenylbutan-2-yl]benzene

C18H24 — CID 143602107

IUPACethane;[(2S)-3-phenylbutan-2-yl]benzene
SMILESCC.CC(c1ccccc1)[C@H](C)c1ccccc1
InChIInChI=1S/C16H18.C2H6/c1-13(15-9-5-3-6-10-15)14(2)16-11-7-4-8-12-16;1-2/h3-14H,1-2H3;1-2H3/t13-,14?;/m0./s1
InChIKeyVKHCKKNCVKCXGG-GPFYXIAXSA-N
MW240.39 g/mol
LogP5.62
Rot. Bonds3

About ethane;[(2S)-3-phenylbutan-2-yl]benzene

ethane;[(2S)-3-phenylbutan-2-yl]benzene (PubChem CID 143602107) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is ethane;[(2S)-3-phenylbutan-2-yl]benzene.

Molecular Properties

Compound Nameethane;[(2S)-3-phenylbutan-2-yl]benzene
PubChem CID143602107
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Nameethane;[(2S)-3-phenylbutan-2-yl]benzene
SMILESCC.CC(c1ccccc1)[C@H](C)c1ccccc1
InChIInChI=1S/C16H18.C2H6/c1-13(15-9-5-3-6-10-15)14(2)16-11-7-4-8-12-16;1-2/h3-14H,1-2H3;1-2H3/t13-,14?;/m0./s1
InChIKeyVKHCKKNCVKCXGG-GPFYXIAXSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,1-diphenylpropan-2-ylbenzene
CID 3664636
cumene;ethane
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ethane;1-phenylethylbenzene
CID 164998811
3-fluorobutan-2-ylbenzene
CID 159211068
cumene;ethane;bis(2-methylpropane)
CID 161044029
ethane;methane;1-phenylethylbenzene
CID 143105414
CID 160506105
CID 160506105
[(1S)-1-phenylethyl]azanium
CID 7855572
benzene;cumene
CID 157215889
propan-2-ylcyclodecapentaene
CID 123508933
1-phenylethylbenzene
CID 11918

Frequently Asked Questions

What is the IUPAC name of ethane;[(2S)-3-phenylbutan-2-yl]benzene?
The IUPAC name of ethane;[(2S)-3-phenylbutan-2-yl]benzene (CID 143602107) is ethane;[(2S)-3-phenylbutan-2-yl]benzene.
What is the SMILES notation for ethane;[(2S)-3-phenylbutan-2-yl]benzene?
The canonical SMILES for ethane;[(2S)-3-phenylbutan-2-yl]benzene is CC.CC(c1ccccc1)[C@H](C)c1ccccc1.
What is the InChIKey of ethane;[(2S)-3-phenylbutan-2-yl]benzene?
The InChIKey is VKHCKKNCVKCXGG-GPFYXIAXSA-N. The full InChI is InChI=1S/C16H18.C2H6/c1-13(15-9-5-3-6-10-15)14(2)16-11-7-4-8-12-16;1-2/h3-14H,1-2H3;1-2H3/t13-,14?;/m0./s1.
What are the key properties of ethane;[(2S)-3-phenylbutan-2-yl]benzene?
ethane;[(2S)-3-phenylbutan-2-yl]benzene has a molecular weight of 240.39 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(2S)-3-phenylbutan-2-yl]benzene is sourced from PubChem (CID 143602107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).