1,3-dimethyl-5-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene

C25H26 — CID 174294452

IUPAC1,3-dimethyl-5-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene
SMILESCc1cccc(C=CCC(c2ccccc2)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C25H26/c1-19-9-7-10-22(16-19)11-8-14-25(23-12-5-4-6-13-23)24-17-20(2)15-21(3)18-24/h4-13,15-18,25H,14H2,1-3H3
InChIKeyOQYLZNUHWHIJCU-UHFFFAOYSA-N
MW326.48 g/mol
LogP6.85
Rot. Bonds5

About 1,3-dimethyl-5-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene

1,3-dimethyl-5-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene (PubChem CID 174294452) has the molecular formula C25H26 and a molecular weight of 326.48 g/mol. Its IUPAC name is 1,3-dimethyl-5-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene.

Molecular Properties

Compound Name1,3-dimethyl-5-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene
PubChem CID174294452
Molecular FormulaC25H26
Molecular Weight326.48 g/mol
Exact Mass326.20
IUPAC Name1,3-dimethyl-5-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene
SMILESCc1cccc(C=CCC(c2ccccc2)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C25H26/c1-19-9-7-10-22(16-19)11-8-14-25(23-12-5-4-6-13-23)24-17-20(2)15-21(3)18-24/h4-13,15-18,25H,14H2,1-3H3
InChIKeyOQYLZNUHWHIJCU-UHFFFAOYSA-N
XLogP6.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 56.85
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-ethyl-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene
CID 174285880
[3-[4-(3-methylphenyl)-1-phenylbut-3-enyl]phenyl]methanamine
CID 174283002
1-methyl-3-[(E)-4-phenylbut-1-enyl]benzene
CID 102140920
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene
CID 15662681
1-methyl-3-pent-1-enylbenzene
CID 54093666
(2Z,4E)-1-(3-methylphenyl)-5-phenylpenta-2,4-dien-1-ol
CID 73292123
[(E,2R)-5-phenylpent-4-en-2-yl]benzene
CID 102293607
1-[fluoro(phenyl)methyl]-3-methylbenzene
CID 54364294
(3-methylphenyl)methyl-diphenyl-[(E)-3-phenylprop-2-enyl]phosphanium
CID 6333479
1-[(E)-but-1-enyl]-3-methylbenzene;ethane;ethenamine
CID 143443436

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene?
The IUPAC name of 1,3-dimethyl-5-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene (CID 174294452) is 1,3-dimethyl-5-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene.
What is the SMILES notation for 1,3-dimethyl-5-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene?
The canonical SMILES for 1,3-dimethyl-5-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene is Cc1cccc(C=CCC(c2ccccc2)c2cc(C)cc(C)c2)c1.
What is the InChIKey of 1,3-dimethyl-5-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene?
The InChIKey is OQYLZNUHWHIJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26/c1-19-9-7-10-22(16-19)11-8-14-25(23-12-5-4-6-13-23)24-17-20(2)15-21(3)18-24/h4-13,15-18,25H,14H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene?
1,3-dimethyl-5-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene has a molecular weight of 326.48 g/mol, XLogP of 6.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene is sourced from PubChem (CID 174294452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).