1-[2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-4-methylbenzene

C20H22 — CID 173169574

IUPAC1-[2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-4-methylbenzene
SMILESCC(=Cc1ccc(C)cc1)C(C)=Cc1ccccc1C
InChIInChI=1S/C20H22/c1-15-9-11-19(12-10-15)13-17(3)18(4)14-20-8-6-5-7-16(20)2/h5-14H,1-4H3
InChIKeyFQNGWEKHIASHPZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.81
Rot. Bonds3

About 1-[2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-4-methylbenzene

1-[2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-4-methylbenzene (PubChem CID 173169574) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-4-methylbenzene
PubChem CID173169574
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name1-[2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-4-methylbenzene
SMILESCC(=Cc1ccc(C)cc1)C(C)=Cc1ccccc1C
InChIInChI=1S/C20H22/c1-15-9-11-19(12-10-15)13-17(3)18(4)14-20-8-6-5-7-16(20)2/h5-14H,1-4H3
InChIKeyFQNGWEKHIASHPZ-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-2-methylbenzene
CID 162730424
benzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene
CID 144639766
1-[(E)-2-bromo-2-phenylethenyl]-4-methylbenzene
CID 102070400
1-methyl-2-(2-methylbut-1-enyl)benzene
CID 123992258
2,4-dimethyl-1-[(1E,3Z)-2-methyl-1-(2-methylphenyl)hexa-1,3-dien-3-yl]benzene
CID 142037579
1-(2,2-difluoroethenyl)-4-methylbenzene
CID 6424286
1-[(1E,3Z)-2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-2,3-dimethylnaphthalene
CID 142129554
phenyl 2-methyl-3-(4-methylphenyl)prop-2-enoate
CID 174899385
1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methylbenzene
CID 131387958
methyl 2-methyl-3-(4-methylphenyl)prop-2-enoate
CID 71350081
1,2-dimethyl-4-[3-methyl-4-[(3E)-3-methyl-4-(2-methylphenyl)buta-1,3-dien-2-yl]phenyl]benzene;ethane
CID 142037607
2-[(4-methylphenyl)methylidene]-1-phenylbutane-1,3-dione
CID 23267679

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-4-methylbenzene?
The IUPAC name of 1-[2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-4-methylbenzene (CID 173169574) is 1-[2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-4-methylbenzene.
What is the SMILES notation for 1-[2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-4-methylbenzene?
The canonical SMILES for 1-[2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-4-methylbenzene is CC(=Cc1ccc(C)cc1)C(C)=Cc1ccccc1C.
What is the InChIKey of 1-[2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-4-methylbenzene?
The InChIKey is FQNGWEKHIASHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-15-9-11-19(12-10-15)13-17(3)18(4)14-20-8-6-5-7-16(20)2/h5-14H,1-4H3.
What are the key properties of 1-[2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-4-methylbenzene?
1-[2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-4-methylbenzene has a molecular weight of 262.40 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-4-methylbenzene is sourced from PubChem (CID 173169574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).