ethane;molecular hydrogen;1-phenyl-4-propan-2-ylbenzene;propane

C20H32 — CID 142053065

IUPACethane;molecular hydrogen;1-phenyl-4-propan-2-ylbenzene;propane
SMILESCC.CC(C)c1ccc(-c2ccccc2)cc1.CCC.[H][H]
InChIInChI=1S/C15H16.C3H8.C2H6.H2/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-3-2;1-2;/h3-12H,1-2H3;3H2,1-2H3;1-2H3;1H
InChIKeyHMSWTHWHWMFECI-UHFFFAOYSA-N
MW272.48 g/mol
LogP7.17
Rot. Bonds2

About ethane;molecular hydrogen;1-phenyl-4-propan-2-ylbenzene;propane

ethane;molecular hydrogen;1-phenyl-4-propan-2-ylbenzene;propane (PubChem CID 142053065) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is ethane;molecular hydrogen;1-phenyl-4-propan-2-ylbenzene;propane.

Molecular Properties

Compound Nameethane;molecular hydrogen;1-phenyl-4-propan-2-ylbenzene;propane
PubChem CID142053065
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Nameethane;molecular hydrogen;1-phenyl-4-propan-2-ylbenzene;propane
SMILESCC.CC(C)c1ccc(-c2ccccc2)cc1.CCC.[H][H]
InChIInChI=1S/C15H16.C3H8.C2H6.H2/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-3-2;1-2;/h3-12H,1-2H3;3H2,1-2H3;1-2H3;1H
InChIKeyHMSWTHWHWMFECI-UHFFFAOYSA-N
XLogP7.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;phenol;1-phenyl-4-propan-2-ylbenzene
CID 159836751
benzene;bis(1,1'-biphenyl);ethane;octakis(2-methylpropane);naphthalene;propane
CID 158347647
ethane;1-ethyl-4-(4-ethylphenyl)benzene;phenol;1-phenyl-4-propan-2-ylbenzene
CID 160505976
cumene;2-methylpropane;propane
CID 158125037
1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene
CID 160951739
ethane;1-ethyl-4-(4-propan-2-ylphenyl)benzene
CID 143715376
1-[(2R)-1-bromopropan-2-yl]-4-phenylbenzene
CID 124511270
cumene;ethane
CID 54306132
1-phenyl-4-[4-[1-(4-phenylphenyl)ethyl]phenyl]benzene
CID 174323056
CID 160506105
CID 160506105
cumene;ethane;bis(2-methylpropane)
CID 161044029
cumene;ethane;methane;1-methyl-4-propan-2-ylbenzene
CID 159265894

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;1-phenyl-4-propan-2-ylbenzene;propane?
The IUPAC name of ethane;molecular hydrogen;1-phenyl-4-propan-2-ylbenzene;propane (CID 142053065) is ethane;molecular hydrogen;1-phenyl-4-propan-2-ylbenzene;propane.
What is the SMILES notation for ethane;molecular hydrogen;1-phenyl-4-propan-2-ylbenzene;propane?
The canonical SMILES for ethane;molecular hydrogen;1-phenyl-4-propan-2-ylbenzene;propane is CC.CC(C)c1ccc(-c2ccccc2)cc1.CCC.[H][H].
What is the InChIKey of ethane;molecular hydrogen;1-phenyl-4-propan-2-ylbenzene;propane?
The InChIKey is HMSWTHWHWMFECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.C3H8.C2H6.H2/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-3-2;1-2;/h3-12H,1-2H3;3H2,1-2H3;1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;1-phenyl-4-propan-2-ylbenzene;propane?
ethane;molecular hydrogen;1-phenyl-4-propan-2-ylbenzene;propane has a molecular weight of 272.48 g/mol, XLogP of 7.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;1-phenyl-4-propan-2-ylbenzene;propane is sourced from PubChem (CID 142053065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).