cumene;ethane;1-phenylethylbenzene

C29H44 — CID 158118082

IUPACcumene;ethane;1-phenylethylbenzene
SMILESCC.CC.CC.CC(C)c1ccccc1.CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14.C9H12.3C2H6/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-8(2)9-6-4-3-5-7-9;3*1-2/h2-12H,1H3;3-8H,1-2H3;3*1-2H3
InChIKeyFRGNTUXHTPUSBW-UHFFFAOYSA-N
MW392.67 g/mol
LogP9.73
Rot. Bonds3

About cumene;ethane;1-phenylethylbenzene

cumene;ethane;1-phenylethylbenzene (PubChem CID 158118082) has the molecular formula C29H44 and a molecular weight of 392.67 g/mol. Its IUPAC name is cumene;ethane;1-phenylethylbenzene.

Molecular Properties

Compound Namecumene;ethane;1-phenylethylbenzene
PubChem CID158118082
Molecular FormulaC29H44
Molecular Weight392.67 g/mol
Exact Mass392.34
IUPAC Namecumene;ethane;1-phenylethylbenzene
SMILESCC.CC.CC.CC(C)c1ccccc1.CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14.C9H12.3C2H6/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-8(2)9-6-4-3-5-7-9;3*1-2/h2-12H,1H3;3-8H,1-2H3;3*1-2H3
InChIKeyFRGNTUXHTPUSBW-UHFFFAOYSA-N
XLogP9.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.67
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze cumene;ethane;1-phenylethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cumene;ethane
CID 54306132
ethane;1-phenylethylbenzene
CID 164998811
cumene;ethane;bis(2-methylpropane)
CID 161044029
CID 160506105
CID 160506105
ethane;methane;1-phenylethylbenzene
CID 143105414
1-phenylethylbenzene
CID 142851428
benzene;cumene
CID 157215889
1-phenylethylbenzene
CID 11918
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
chloromethane;cumene;ethane
CID 160847695
cumene;hydrogen peroxide
CID 21225480

Frequently Asked Questions

What is the IUPAC name of cumene;ethane;1-phenylethylbenzene?
The IUPAC name of cumene;ethane;1-phenylethylbenzene (CID 158118082) is cumene;ethane;1-phenylethylbenzene.
What is the SMILES notation for cumene;ethane;1-phenylethylbenzene?
The canonical SMILES for cumene;ethane;1-phenylethylbenzene is CC.CC.CC.CC(C)c1ccccc1.CC(c1ccccc1)c1ccccc1.
What is the InChIKey of cumene;ethane;1-phenylethylbenzene?
The InChIKey is FRGNTUXHTPUSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C9H12.3C2H6/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-8(2)9-6-4-3-5-7-9;3*1-2/h2-12H,1H3;3-8H,1-2H3;3*1-2H3.
What are the key properties of cumene;ethane;1-phenylethylbenzene?
cumene;ethane;1-phenylethylbenzene has a molecular weight of 392.67 g/mol, XLogP of 9.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;ethane;1-phenylethylbenzene is sourced from PubChem (CID 158118082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).