ethane;1-phenylethylbenzene

C22H38 — CID 164998811

IUPACethane;1-phenylethylbenzene
SMILESCC.CC.CC.CC.CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14.4C2H6/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;4*1-2/h2-12H,1H3;4*1-2H3
InChIKeyHXYSHLZIDWOBEP-UHFFFAOYSA-N
MW302.55 g/mol
LogP7.94
Rot. Bonds2

About ethane;1-phenylethylbenzene

ethane;1-phenylethylbenzene (PubChem CID 164998811) has the molecular formula C22H38 and a molecular weight of 302.55 g/mol. Its IUPAC name is ethane;1-phenylethylbenzene.

Molecular Properties

Compound Nameethane;1-phenylethylbenzene
PubChem CID164998811
Molecular FormulaC22H38
Molecular Weight302.55 g/mol
Exact Mass302.30
IUPAC Nameethane;1-phenylethylbenzene
SMILESCC.CC.CC.CC.CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14.4C2H6/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;4*1-2/h2-12H,1H3;4*1-2H3
InChIKeyHXYSHLZIDWOBEP-UHFFFAOYSA-N
XLogP7.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.55
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 143105414
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
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CID 174965918
cumene;ethane;1-phenylethylbenzene
CID 158118082
ethanamine;1-phenylethylbenzene
CID 19985218
ethane;2-fluorobutane;1-phenylethylbenzene
CID 142933891
isocyanic acid;1-phenylethylbenzene
CID 172750897
cumene;ethane
CID 54306132
ethane;[(2S)-3-phenylbutan-2-yl]benzene
CID 143602107
1-phenyl-4-[4-[1-(4-phenylphenyl)ethyl]phenyl]benzene
CID 174323056
[(1S)-1-phenylethyl]azanium
CID 7855572

Frequently Asked Questions

What is the IUPAC name of ethane;1-phenylethylbenzene?
The IUPAC name of ethane;1-phenylethylbenzene (CID 164998811) is ethane;1-phenylethylbenzene.
What is the SMILES notation for ethane;1-phenylethylbenzene?
The canonical SMILES for ethane;1-phenylethylbenzene is CC.CC.CC.CC.CC(c1ccccc1)c1ccccc1.
What is the InChIKey of ethane;1-phenylethylbenzene?
The InChIKey is HXYSHLZIDWOBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.4C2H6/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;4*1-2/h2-12H,1H3;4*1-2H3.
What are the key properties of ethane;1-phenylethylbenzene?
ethane;1-phenylethylbenzene has a molecular weight of 302.55 g/mol, XLogP of 7.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-phenylethylbenzene is sourced from PubChem (CID 164998811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).