2,4-dimethyl-1-[(3Z)-3-(4-methylphenyl)penta-1,3-dien-2-yl]benzene

C20H22 — CID 144777927

IUPAC2,4-dimethyl-1-[(3Z)-3-(4-methylphenyl)penta-1,3-dien-2-yl]benzene
SMILESC=C(/C(=C\C)c1ccc(C)cc1)c1ccc(C)cc1C
InChIInChI=1S/C20H22/c1-6-19(18-10-7-14(2)8-11-18)17(5)20-12-9-15(3)13-16(20)4/h6-13H,5H2,1-4H3/b19-6+
InChIKeyQKKMAJMJRVWLKF-KPSZGOFPSA-N
MW262.40 g/mol
LogP5.73
Rot. Bonds3

About 2,4-dimethyl-1-[(3Z)-3-(4-methylphenyl)penta-1,3-dien-2-yl]benzene

2,4-dimethyl-1-[(3Z)-3-(4-methylphenyl)penta-1,3-dien-2-yl]benzene (PubChem CID 144777927) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2,4-dimethyl-1-[(3Z)-3-(4-methylphenyl)penta-1,3-dien-2-yl]benzene.

Molecular Properties

Compound Name2,4-dimethyl-1-[(3Z)-3-(4-methylphenyl)penta-1,3-dien-2-yl]benzene
PubChem CID144777927
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name2,4-dimethyl-1-[(3Z)-3-(4-methylphenyl)penta-1,3-dien-2-yl]benzene
SMILESC=C(/C(=C\C)c1ccc(C)cc1)c1ccc(C)cc1C
InChIInChI=1S/C20H22/c1-6-19(18-10-7-14(2)8-11-18)17(5)20-12-9-15(3)13-16(20)4/h6-13H,5H2,1-4H3/b19-6+
InChIKeyQKKMAJMJRVWLKF-KPSZGOFPSA-N
XLogP5.73
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 ≤ 55.73
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-[(3Z)-3-(4-tert-butylphenyl)penta-1,3-dien-2-yl]-2,4-dimethylbenzene;but-1-yne;ethane
CID 144777957
1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene
CID 143717580
ethane;1-methyl-2-[(3Z)-3-phenylpenta-1,3-dien-2-yl]benzene
CID 143592596
CID 168920336
CID 168920336
1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;ethane;methane
CID 153374164
1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene
CID 143923034
2,4-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]benzene
CID 168947702
4-[(2E,4E)-4-(4-methylphenyl)hexa-2,4-dien-3-yl]phenol
CID 59197895
(1Z)-1-(2,4-dimethylphenyl)buta-1,3-diene-1,2-diol
CID 146991450
1-[1-(4-ethylphenyl)ethenyl]-2,4-dimethylbenzene
CID 123269031
1-(2,4-dimethylphenyl)-2-fluoroprop-2-en-1-one
CID 11194655
1-[(1E)-3-(2,4-dimethylphenyl)-1-methoxybuta-1,3-dienyl]-2,4-dimethylbenzene
CID 89138571

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[(3Z)-3-(4-methylphenyl)penta-1,3-dien-2-yl]benzene?
The IUPAC name of 2,4-dimethyl-1-[(3Z)-3-(4-methylphenyl)penta-1,3-dien-2-yl]benzene (CID 144777927) is 2,4-dimethyl-1-[(3Z)-3-(4-methylphenyl)penta-1,3-dien-2-yl]benzene.
What is the SMILES notation for 2,4-dimethyl-1-[(3Z)-3-(4-methylphenyl)penta-1,3-dien-2-yl]benzene?
The canonical SMILES for 2,4-dimethyl-1-[(3Z)-3-(4-methylphenyl)penta-1,3-dien-2-yl]benzene is C=C(/C(=C\C)c1ccc(C)cc1)c1ccc(C)cc1C.
What is the InChIKey of 2,4-dimethyl-1-[(3Z)-3-(4-methylphenyl)penta-1,3-dien-2-yl]benzene?
The InChIKey is QKKMAJMJRVWLKF-KPSZGOFPSA-N. The full InChI is InChI=1S/C20H22/c1-6-19(18-10-7-14(2)8-11-18)17(5)20-12-9-15(3)13-16(20)4/h6-13H,5H2,1-4H3/b19-6+.
What are the key properties of 2,4-dimethyl-1-[(3Z)-3-(4-methylphenyl)penta-1,3-dien-2-yl]benzene?
2,4-dimethyl-1-[(3Z)-3-(4-methylphenyl)penta-1,3-dien-2-yl]benzene has a molecular weight of 262.40 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[(3Z)-3-(4-methylphenyl)penta-1,3-dien-2-yl]benzene is sourced from PubChem (CID 144777927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).