ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene

C20H28 — CID 90770914

IUPACethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
SMILESCC.CC.Cc1ccc(C=Cc2ccc(C)cc2)cc1
InChIInChI=1S/C16H16.2C2H6/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;2*1-2/h3-12H,1-2H3;2*1-2H3
InChIKeyGWPLROKOJGPLLU-UHFFFAOYSA-N
MW268.44 g/mol
LogP6.53
Rot. Bonds2

About ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene

ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene (PubChem CID 90770914) has the molecular formula C20H28 and a molecular weight of 268.44 g/mol. Its IUPAC name is ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene.

Molecular Properties

Compound Nameethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
PubChem CID90770914
Molecular FormulaC20H28
Molecular Weight268.44 g/mol
Exact Mass268.22
IUPAC Nameethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
SMILESCC.CC.Cc1ccc(C=Cc2ccc(C)cc2)cc1
InChIInChI=1S/C16H16.2C2H6/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;2*1-2/h3-12H,1-2H3;2*1-2H3
InChIKeyGWPLROKOJGPLLU-UHFFFAOYSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 143133606
1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 20730510
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium
CID 102059663
N-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline
CID 72543320
1,2,3-trimethyl-5-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 141387094
2,3-bis[2-(4-methylphenyl)ethenyl]naphthalene;ethane
CID 90817407
1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
CID 158666268
4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline
CID 59805421
1-[(E)-2-[4-(fluoromethyl)phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 89173063
3,7-bis[2-(4-methylphenyl)ethenyl]dibenzothiophene;ethane
CID 90685412

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene?
The IUPAC name of ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene (CID 90770914) is ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene.
What is the SMILES notation for ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene?
The canonical SMILES for ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene is CC.CC.Cc1ccc(C=Cc2ccc(C)cc2)cc1.
What is the InChIKey of ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene?
The InChIKey is GWPLROKOJGPLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16.2C2H6/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;2*1-2/h3-12H,1-2H3;2*1-2H3.
What are the key properties of ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene?
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene has a molecular weight of 268.44 g/mol, XLogP of 6.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene is sourced from PubChem (CID 90770914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).