1-ethyl-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene

C25H26 — CID 174285880

IUPAC1-ethyl-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene
SMILESCCc1ccc(C(CC=Cc2cccc(C)c2)c2ccccc2)cc1
InChIInChI=1S/C25H26/c1-3-21-15-17-24(18-16-21)25(23-12-5-4-6-13-23)14-8-11-22-10-7-9-20(2)19-22/h4-13,15-19,25H,3,14H2,1-2H3
InChIKeyYLDDZKOYELWUJY-UHFFFAOYSA-N
MW326.48 g/mol
LogP6.79
Rot. Bonds6

About 1-ethyl-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene

1-ethyl-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene (PubChem CID 174285880) has the molecular formula C25H26 and a molecular weight of 326.48 g/mol. Its IUPAC name is 1-ethyl-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene
PubChem CID174285880
Molecular FormulaC25H26
Molecular Weight326.48 g/mol
Exact Mass326.20
IUPAC Name1-ethyl-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene
SMILESCCc1ccc(C(CC=Cc2cccc(C)c2)c2ccccc2)cc1
InChIInChI=1S/C25H26/c1-3-21-15-17-24(18-16-21)25(23-12-5-4-6-13-23)14-8-11-22-10-7-9-20(2)19-22/h4-13,15-19,25H,3,14H2,1-2H3
InChIKeyYLDDZKOYELWUJY-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene
CID 174351857
1,3-dimethyl-5-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene
CID 174294452
[3-[4-(3-methylphenyl)-1-phenylbut-3-enyl]phenyl]methanamine
CID 174283002
1-ethyl-4-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 102133829
1-methyl-3-[(E)-4-phenylbut-1-enyl]benzene
CID 102140920
1-methyl-3-pent-1-enylbenzene
CID 54093666
8-ethyl-1,3-dimethylcyclotetradeca-1,3,5,7,9,11,13-heptaene
CID 91350329
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene
CID 15662681
(E,2S)-5-(3-ethylphenyl)pent-4-en-2-ol
CID 89151097
1-[(E)-but-1-enyl]-3-methylbenzene;ethane;ethenamine
CID 143443436
N-[(4-ethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491470

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene?
The IUPAC name of 1-ethyl-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene (CID 174285880) is 1-ethyl-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene.
What is the SMILES notation for 1-ethyl-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene?
The canonical SMILES for 1-ethyl-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene is CCc1ccc(C(CC=Cc2cccc(C)c2)c2ccccc2)cc1.
What is the InChIKey of 1-ethyl-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene?
The InChIKey is YLDDZKOYELWUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26/c1-3-21-15-17-24(18-16-21)25(23-12-5-4-6-13-23)14-8-11-22-10-7-9-20(2)19-22/h4-13,15-19,25H,3,14H2,1-2H3.
What are the key properties of 1-ethyl-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene?
1-ethyl-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene has a molecular weight of 326.48 g/mol, XLogP of 6.79, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene is sourced from PubChem (CID 174285880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).