1-[2,5-dimethyl-4-(4-methylphenyl)hexa-2,4-dien-3-yl]-4-methylbenzene

C22H26 — CID 132538169

IUPAC1-[2,5-dimethyl-4-(4-methylphenyl)hexa-2,4-dien-3-yl]-4-methylbenzene
SMILESCC(C)=C(C(=C(C)C)c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C22H26/c1-15(2)21(19-11-7-17(5)8-12-19)22(16(3)4)20-13-9-18(6)10-14-20/h7-14H,1-6H3
InChIKeyPDOGPCGXCQIEQM-UHFFFAOYSA-N
MW290.45 g/mol
LogP6.59
Rot. Bonds3

About 1-[2,5-dimethyl-4-(4-methylphenyl)hexa-2,4-dien-3-yl]-4-methylbenzene

1-[2,5-dimethyl-4-(4-methylphenyl)hexa-2,4-dien-3-yl]-4-methylbenzene (PubChem CID 132538169) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[2,5-dimethyl-4-(4-methylphenyl)hexa-2,4-dien-3-yl]-4-methylbenzene.

Molecular Properties

Compound Name1-[2,5-dimethyl-4-(4-methylphenyl)hexa-2,4-dien-3-yl]-4-methylbenzene
PubChem CID132538169
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name1-[2,5-dimethyl-4-(4-methylphenyl)hexa-2,4-dien-3-yl]-4-methylbenzene
SMILESCC(C)=C(C(=C(C)C)c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C22H26/c1-15(2)21(19-11-7-17(5)8-12-19)22(16(3)4)20-13-9-18(6)10-14-20/h7-14H,1-6H3
InChIKeyPDOGPCGXCQIEQM-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.59
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

ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene
CID 91583110
(Z)-1,2,3,4-tetrakis(4-methylphenyl)but-2-ene-1,4-dione
CID 12516207
(E)-2,3-bis(4-methylphenyl)but-2-enoic acid
CID 137447893
1-[(3E)-2,4-difluoropenta-1,3-dien-3-yl]-4-methylbenzene
CID 145480529
1-methyl-4-(4-prop-1-en-2-ylphenyl)benzene
CID 20594776
1-[(Z)-but-2-en-2-yl]-4-methylbenzene
CID 58843251
1-(4-methylphenyl)ethanone;hydrochloride
CID 172692328
1-but-2-en-2-yl-4-methylbenzene
CID 12583115
acetic acid;4-methylbenzoic acid
CID 68925030
1-[(2E)-4,5-dimethyl-2-(4-methylphenyl)hexa-2,4-dien-3-yl]-3,5-dimethylbenzene
CID 153358901
5-methyl-4-(4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylidenehex-4-enoic acid
CID 89036660
ethane;methanol;1,4-xylene
CID 171074418

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethyl-4-(4-methylphenyl)hexa-2,4-dien-3-yl]-4-methylbenzene?
The IUPAC name of 1-[2,5-dimethyl-4-(4-methylphenyl)hexa-2,4-dien-3-yl]-4-methylbenzene (CID 132538169) is 1-[2,5-dimethyl-4-(4-methylphenyl)hexa-2,4-dien-3-yl]-4-methylbenzene.
What is the SMILES notation for 1-[2,5-dimethyl-4-(4-methylphenyl)hexa-2,4-dien-3-yl]-4-methylbenzene?
The canonical SMILES for 1-[2,5-dimethyl-4-(4-methylphenyl)hexa-2,4-dien-3-yl]-4-methylbenzene is CC(C)=C(C(=C(C)C)c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of 1-[2,5-dimethyl-4-(4-methylphenyl)hexa-2,4-dien-3-yl]-4-methylbenzene?
The InChIKey is PDOGPCGXCQIEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26/c1-15(2)21(19-11-7-17(5)8-12-19)22(16(3)4)20-13-9-18(6)10-14-20/h7-14H,1-6H3.
What are the key properties of 1-[2,5-dimethyl-4-(4-methylphenyl)hexa-2,4-dien-3-yl]-4-methylbenzene?
1-[2,5-dimethyl-4-(4-methylphenyl)hexa-2,4-dien-3-yl]-4-methylbenzene has a molecular weight of 290.45 g/mol, XLogP of 6.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethyl-4-(4-methylphenyl)hexa-2,4-dien-3-yl]-4-methylbenzene is sourced from PubChem (CID 132538169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).