methane;1-methyl-4-[(E)-2-phenylethenyl]benzene

C16H18 — CID 144677664

IUPACmethane;1-methyl-4-[(E)-2-phenylethenyl]benzene
SMILESC.Cc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H14.CH4/c1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14;/h2-12H,1H3;1H4/b12-11+;
InChIKeyQJXXROVTGLQHDG-CALJPSDSSA-N
MW210.32 g/mol
LogP4.80
Rot. Bonds2

About methane;1-methyl-4-[(E)-2-phenylethenyl]benzene

methane;1-methyl-4-[(E)-2-phenylethenyl]benzene (PubChem CID 144677664) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is methane;1-methyl-4-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Namemethane;1-methyl-4-[(E)-2-phenylethenyl]benzene
PubChem CID144677664
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Namemethane;1-methyl-4-[(E)-2-phenylethenyl]benzene
SMILESC.Cc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H14.CH4/c1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14;/h2-12H,1H3;1H4/b12-11+;
InChIKeyQJXXROVTGLQHDG-CALJPSDSSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.80
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;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
ethenoxyethene;1-methyl-4-(2-phenylethenyl)benzene
CID 175119334
[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-triphenylphosphanium
CID 58231993
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine
CID 102429934
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 118284207
1-N,3-N,5-N-tris(4-methylphenyl)-1-N,3-N,5-N-tris[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3,5-triamine
CID 121421564
1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
CID 158666268
N-methyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-N-phenylaniline
CID 155621570
(1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one
CID 6175900
1,4-bis(2-phenylethenyl)benzene;carbanide;ethane;ethane;methane;tetrakis(yttrium)
CID 159183097

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-4-[(E)-2-phenylethenyl]benzene?
The IUPAC name of methane;1-methyl-4-[(E)-2-phenylethenyl]benzene (CID 144677664) is methane;1-methyl-4-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for methane;1-methyl-4-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for methane;1-methyl-4-[(E)-2-phenylethenyl]benzene is C.Cc1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of methane;1-methyl-4-[(E)-2-phenylethenyl]benzene?
The InChIKey is QJXXROVTGLQHDG-CALJPSDSSA-N. The full InChI is InChI=1S/C15H14.CH4/c1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14;/h2-12H,1H3;1H4/b12-11+;.
What are the key properties of methane;1-methyl-4-[(E)-2-phenylethenyl]benzene?
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene has a molecular weight of 210.32 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-4-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 144677664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).