1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane

C25H28 — CID 143267176

IUPAC1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane
SMILESCC.CC/C(=C(/c1ccccc1)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C23H22.C2H6/c1-3-22(19-10-6-4-7-11-19)23(20-12-8-5-9-13-20)21-16-14-18(2)15-17-21;1-2/h4-17H,3H2,1-2H3;1-2H3/b23-22+;
InChIKeyOCMLLHHTEOVHCC-PGCQSHBKSA-N
MW328.50 g/mol
LogP7.39
Rot. Bonds4

About 1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane

1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane (PubChem CID 143267176) has the molecular formula C25H28 and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane.

Molecular Properties

Compound Name1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane
PubChem CID143267176
Molecular FormulaC25H28
Molecular Weight328.50 g/mol
Exact Mass328.22
IUPAC Name1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane
SMILESCC.CC/C(=C(/c1ccccc1)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C23H22.C2H6/c1-3-22(19-10-6-4-7-11-19)23(20-12-8-5-9-13-20)21-16-14-18(2)15-17-21;1-2/h4-17H,3H2,1-2H3;1-2H3/b23-22+;
InChIKeyOCMLLHHTEOVHCC-PGCQSHBKSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 57.39
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

4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenol
CID 10567272
potassium;1-[(Z)-1,2-diphenylbut-1-enyl]-4-methylbenzene;methyl(propyl)azanide
CID 155723292
4-[1-(4-aminophenyl)-2-phenylbut-1-enyl]aniline
CID 72701917
1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane
CID 170597875
N,N-dimethyl-2-[4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenoxy]ethanamine
CID 3037296
N-ethyl-3-[4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenyl]propan-1-amine
CID 145199812
acetic acid;4-(1,2-diphenylbut-1-enyl)phenol
CID 71332420
4-[(E)-1-(2-methylphenyl)-1-(4-methylphenyl)but-1-en-2-yl]phenol
CID 167478355
1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene
CID 149186227
1-(5-bromopentoxy)-4-(1,2-diphenylbut-1-enyl)benzene
CID 67653107
4-[(Z)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]phenol
CID 177122959
1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene
CID 138319933

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane?
The IUPAC name of 1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane (CID 143267176) is 1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane.
What is the SMILES notation for 1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane?
The canonical SMILES for 1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane is CC.CC/C(=C(/c1ccccc1)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane?
The InChIKey is OCMLLHHTEOVHCC-PGCQSHBKSA-N. The full InChI is InChI=1S/C23H22.C2H6/c1-3-22(19-10-6-4-7-11-19)23(20-12-8-5-9-13-20)21-16-14-18(2)15-17-21;1-2/h4-17H,3H2,1-2H3;1-2H3/b23-22+;.
What are the key properties of 1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane?
1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane has a molecular weight of 328.50 g/mol, XLogP of 7.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane is sourced from PubChem (CID 143267176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).