2,4-dimethyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;methane

C18H22 — CID 161062923

IUPAC2,4-dimethyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;methane
SMILESC.Cc1ccc(/C=C/c2ccc(C)cc2C)cc1
InChIInChI=1S/C17H18.CH4/c1-13-4-7-16(8-5-13)9-11-17-10-6-14(2)12-15(17)3;/h4-12H,1-3H3;1H4/b11-9+;
InChIKeyUDQAHMMVWZELHL-LBEJWNQZSA-N
MW238.37 g/mol
LogP5.42
Rot. Bonds2

About 2,4-dimethyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;methane

2,4-dimethyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;methane (PubChem CID 161062923) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2,4-dimethyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;methane.

Molecular Properties

Compound Name2,4-dimethyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;methane
PubChem CID161062923
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name2,4-dimethyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;methane
SMILESC.Cc1ccc(/C=C/c2ccc(C)cc2C)cc1
InChIInChI=1S/C17H18.CH4/c1-13-4-7-16(8-5-13)9-11-17-10-6-14(2)12-15(17)3;/h4-12H,1-3H3;1H4/b11-9+;
InChIKeyUDQAHMMVWZELHL-LBEJWNQZSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.42
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

2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene
CID 15751246
2,4-dimethyl-1-[4-(4-methylphenyl)buta-1,3-dienyl]benzene
CID 173274077
methane;3-methyl-N,N-bis(4-methylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline
CID 158838824
4-methyl-N-[4-[(E)-2-[3-methyl-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 20734404
2-[2-[4-[2-(2,5-dimethylphenyl)ethenyl]phenyl]ethenyl]-1,4-dimethylbenzene
CID 71374373
4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-2-methyl-N,N-bis(4-methylphenyl)aniline
CID 58841592
azane;2,4-dimethylbenzaldehyde;N-[4-[2-(2,4-dimethylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methylaniline;1,4-xylene
CID 159134998
3-methyl-4-[2-[4-[2-[2-methyl-4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-(4-methylphenyl)-N-phenylaniline
CID 59805392
azane;2,4-dimethylbenzaldehyde;N-[4-[2-(2,4-dimethylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methylaniline;vanadium;1,4-xylene
CID 158112196
1-(2-chloroethenyl)-2,4-dimethylbenzene
CID 54480012
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;methane?
The IUPAC name of 2,4-dimethyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;methane (CID 161062923) is 2,4-dimethyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;methane.
What is the SMILES notation for 2,4-dimethyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;methane?
The canonical SMILES for 2,4-dimethyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;methane is C.Cc1ccc(/C=C/c2ccc(C)cc2C)cc1.
What is the InChIKey of 2,4-dimethyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;methane?
The InChIKey is UDQAHMMVWZELHL-LBEJWNQZSA-N. The full InChI is InChI=1S/C17H18.CH4/c1-13-4-7-16(8-5-13)9-11-17-10-6-14(2)12-15(17)3;/h4-12H,1-3H3;1H4/b11-9+;.
What are the key properties of 2,4-dimethyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;methane?
2,4-dimethyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;methane has a molecular weight of 238.37 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;methane is sourced from PubChem (CID 161062923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).