2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;1-ethyl-2-methylbenzene

C25H28 — CID 143322291

IUPAC2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;1-ethyl-2-methylbenzene
SMILESCCc1ccccc1C.Cc1ccc(/C=C/c2ccccc2)c(C)c1
InChIInChI=1S/C16H16.C9H12/c1-13-8-10-16(14(2)12-13)11-9-15-6-4-3-5-7-15;1-3-9-7-5-4-6-8(9)2/h3-12H,1-2H3;4-7H,3H2,1-2H3/b11-9+;
InChIKeyAWCLKGYPXLCOML-LBEJWNQZSA-N
MW328.50 g/mol
LogP7.03
Rot. Bonds3

About 2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;1-ethyl-2-methylbenzene

2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;1-ethyl-2-methylbenzene (PubChem CID 143322291) has the molecular formula C25H28 and a molecular weight of 328.50 g/mol. Its IUPAC name is 2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;1-ethyl-2-methylbenzene.

Molecular Properties

Compound Name2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;1-ethyl-2-methylbenzene
PubChem CID143322291
Molecular FormulaC25H28
Molecular Weight328.50 g/mol
Exact Mass328.22
IUPAC Name2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;1-ethyl-2-methylbenzene
SMILESCCc1ccccc1C.Cc1ccc(/C=C/c2ccccc2)c(C)c1
InChIInChI=1S/C16H16.C9H12/c1-13-8-10-16(14(2)12-13)11-9-15-6-4-3-5-7-15;1-3-9-7-5-4-6-8(9)2/h3-12H,1-2H3;4-7H,3H2,1-2H3/b11-9+;
InChIKeyAWCLKGYPXLCOML-LBEJWNQZSA-N
XLogP7.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 57.03
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
1-ethyl-2-[(Z)-2-phenylethenyl]benzene
CID 142017215
2,4-dimethyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;methane
CID 161062923
1-ethyl-2-methylbenzene;propane;toluene
CID 159725880
3-methyl-N,N-diphenyl-4-(2-phenylethenyl)aniline
CID 54520687
benzene;1,2-diethylbenzene;1,2-xylene
CID 174742983
3-methyl-4-[2-[4-[2-[2-methyl-4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-(4-methylphenyl)-N-phenylaniline
CID 59805392
1,4-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene
CID 11746215
acetic acid;1-ethyl-2-methylbenzene
CID 67948051
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602
carbanide;ethane;1-ethyl-2-methylbenzene;yttrium
CID 165046421
2,4-dimethyl-1-[4-(4-methylphenyl)buta-1,3-dienyl]benzene
CID 173274077

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;1-ethyl-2-methylbenzene?
The IUPAC name of 2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;1-ethyl-2-methylbenzene (CID 143322291) is 2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;1-ethyl-2-methylbenzene.
What is the SMILES notation for 2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;1-ethyl-2-methylbenzene?
The canonical SMILES for 2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;1-ethyl-2-methylbenzene is CCc1ccccc1C.Cc1ccc(/C=C/c2ccccc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;1-ethyl-2-methylbenzene?
The InChIKey is AWCLKGYPXLCOML-LBEJWNQZSA-N. The full InChI is InChI=1S/C16H16.C9H12/c1-13-8-10-16(14(2)12-13)11-9-15-6-4-3-5-7-15;1-3-9-7-5-4-6-8(9)2/h3-12H,1-2H3;4-7H,3H2,1-2H3/b11-9+;.
What are the key properties of 2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;1-ethyl-2-methylbenzene?
2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;1-ethyl-2-methylbenzene has a molecular weight of 328.50 g/mol, XLogP of 7.03, 3 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-phenylethenyl]benzene;1-ethyl-2-methylbenzene is sourced from PubChem (CID 143322291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).