ethane;methane;2-phenylethylbenzene

C20H34 — CID 158652330

IUPACethane;methane;2-phenylethylbenzene
SMILESC.C.CC.CC.c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C14H14.2C2H6.2CH4/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;2*1-2;;/h1-10H,11-12H2;2*1-2H3;2*1H4
InChIKeyIBRZWHFKXCMVLA-UHFFFAOYSA-N
MW274.49 g/mol
LogP6.80
Rot. Bonds3

About ethane;methane;2-phenylethylbenzene

ethane;methane;2-phenylethylbenzene (PubChem CID 158652330) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is ethane;methane;2-phenylethylbenzene.

Molecular Properties

Compound Nameethane;methane;2-phenylethylbenzene
PubChem CID158652330
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Nameethane;methane;2-phenylethylbenzene
SMILESC.C.CC.CC.c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C14H14.2C2H6.2CH4/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;2*1-2;;/h1-10H,11-12H2;2*1-2H3;2*1H4
InChIKeyIBRZWHFKXCMVLA-UHFFFAOYSA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;2-phenylethylbenzene
CID 18982764
hafnium;2-phenylethylbenzene
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CID 159124725
alumane;2-phenylethylbenzene;hydrobromide
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methane;4-phenylbutylbenzene
CID 173386802
1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene
CID 23565947
4-phenylbutylbenzene
CID 141301927
propylbenzene;hydrobromide
CID 70024036
propylbenzene tetraiodide
CID 23321652
carbanide;ethane;lanthanum;propane;propylbenzene
CID 161064679
ethane;ethylbenzene;propylbenzene
CID 153343160
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CID 173107098

Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-phenylethylbenzene?
The IUPAC name of ethane;methane;2-phenylethylbenzene (CID 158652330) is ethane;methane;2-phenylethylbenzene.
What is the SMILES notation for ethane;methane;2-phenylethylbenzene?
The canonical SMILES for ethane;methane;2-phenylethylbenzene is C.C.CC.CC.c1ccc(CCc2ccccc2)cc1.
What is the InChIKey of ethane;methane;2-phenylethylbenzene?
The InChIKey is IBRZWHFKXCMVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.2C2H6.2CH4/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;2*1-2;;/h1-10H,11-12H2;2*1-2H3;2*1H4.
What are the key properties of ethane;methane;2-phenylethylbenzene?
ethane;methane;2-phenylethylbenzene has a molecular weight of 274.49 g/mol, XLogP of 6.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-phenylethylbenzene is sourced from PubChem (CID 158652330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).