4-ethyl-1-methyl-2-[(E)-2-(3-methylphenyl)but-1-enyl]benzene

C20H24 — CID 145300557

IUPAC4-ethyl-1-methyl-2-[(E)-2-(3-methylphenyl)but-1-enyl]benzene
SMILESCC/C(=C\c1cc(CC)ccc1C)c1cccc(C)c1
InChIInChI=1S/C20H24/c1-5-17-11-10-16(4)20(13-17)14-18(6-2)19-9-7-8-15(3)12-19/h7-14H,5-6H2,1-4H3/b18-14+
InChIKeySIVBOYAFBAZNAR-NBVRZTHBSA-N
MW264.41 g/mol
LogP5.82
Rot. Bonds4

About 4-ethyl-1-methyl-2-[(E)-2-(3-methylphenyl)but-1-enyl]benzene

4-ethyl-1-methyl-2-[(E)-2-(3-methylphenyl)but-1-enyl]benzene (PubChem CID 145300557) has the molecular formula C20H24 and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-ethyl-1-methyl-2-[(E)-2-(3-methylphenyl)but-1-enyl]benzene.

Molecular Properties

Compound Name4-ethyl-1-methyl-2-[(E)-2-(3-methylphenyl)but-1-enyl]benzene
PubChem CID145300557
Molecular FormulaC20H24
Molecular Weight264.41 g/mol
Exact Mass264.19
IUPAC Name4-ethyl-1-methyl-2-[(E)-2-(3-methylphenyl)but-1-enyl]benzene
SMILESCC/C(=C\c1cc(CC)ccc1C)c1cccc(C)c1
InChIInChI=1S/C20H24/c1-5-17-11-10-16(4)20(13-17)14-18(6-2)19-9-7-8-15(3)12-19/h7-14H,5-6H2,1-4H3/b18-14+
InChIKeySIVBOYAFBAZNAR-NBVRZTHBSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 55.82
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

1,2-dimethyl-3-[(E)-2-(3-methylphenyl)but-1-enyl]pyrrole
CID 166737598
2-[2-(3-but-1-en-2-ylphenyl)hex-1-enyl]-1,4-dimethylbenzene
CID 142815850
(Z)-2-(3-ethylphenyl)-N-methylbut-1-en-1-amine
CID 142246468
4-(3-methylphenyl)-2-oxohex-3-enal
CID 175131053
ethane;bis(1-ethyl-3-methylbenzene)
CID 142878274
4-ethyl-1-methyl-2-(3-methylphenyl)benzene
CID 91311090
1-ethyl-3-methylbenzene;methanamine
CID 167447790
N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-3-methylbenzamide
CID 884883
(Z)-(5-ethyl-2-methylphenyl)methylidenehydrazine
CID 143338887
1,4-dimethyl-2-[(E)-2-methylbut-1-enyl]benzene;ethane
CID 143194755
ethane;1-ethyl-3-methylbenzene;methane;propane
CID 161003738
2-[2-(chloromethyl)but-1-enyl]-1,4-dimethylbenzene
CID 79334693

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-2-[(E)-2-(3-methylphenyl)but-1-enyl]benzene?
The IUPAC name of 4-ethyl-1-methyl-2-[(E)-2-(3-methylphenyl)but-1-enyl]benzene (CID 145300557) is 4-ethyl-1-methyl-2-[(E)-2-(3-methylphenyl)but-1-enyl]benzene.
What is the SMILES notation for 4-ethyl-1-methyl-2-[(E)-2-(3-methylphenyl)but-1-enyl]benzene?
The canonical SMILES for 4-ethyl-1-methyl-2-[(E)-2-(3-methylphenyl)but-1-enyl]benzene is CC/C(=C\c1cc(CC)ccc1C)c1cccc(C)c1.
What is the InChIKey of 4-ethyl-1-methyl-2-[(E)-2-(3-methylphenyl)but-1-enyl]benzene?
The InChIKey is SIVBOYAFBAZNAR-NBVRZTHBSA-N. The full InChI is InChI=1S/C20H24/c1-5-17-11-10-16(4)20(13-17)14-18(6-2)19-9-7-8-15(3)12-19/h7-14H,5-6H2,1-4H3/b18-14+.
What are the key properties of 4-ethyl-1-methyl-2-[(E)-2-(3-methylphenyl)but-1-enyl]benzene?
4-ethyl-1-methyl-2-[(E)-2-(3-methylphenyl)but-1-enyl]benzene has a molecular weight of 264.41 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-2-[(E)-2-(3-methylphenyl)but-1-enyl]benzene is sourced from PubChem (CID 145300557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).