1-[(1E)-3-(2,4-dimethylphenyl)-1-methoxybuta-1,3-dienyl]-2,4-dimethylbenzene

C21H24O — CID 89138571

IUPAC1-[(1E)-3-(2,4-dimethylphenyl)-1-methoxybuta-1,3-dienyl]-2,4-dimethylbenzene
SMILESC=C(/C=C(/OC)c1ccc(C)cc1C)c1ccc(C)cc1C
InChIInChI=1S/C21H24O/c1-14-7-9-19(16(3)11-14)18(5)13-21(22-6)20-10-8-15(2)12-17(20)4/h7-13H,5H2,1-4,6H3/b21-13+
InChIKeyUDUKXICJPQEDCY-FYJGNVAPSA-N
MW292.42 g/mol
LogP5.62
Rot. Bonds4

About 1-[(1E)-3-(2,4-dimethylphenyl)-1-methoxybuta-1,3-dienyl]-2,4-dimethylbenzene

1-[(1E)-3-(2,4-dimethylphenyl)-1-methoxybuta-1,3-dienyl]-2,4-dimethylbenzene (PubChem CID 89138571) has the molecular formula C21H24O and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[(1E)-3-(2,4-dimethylphenyl)-1-methoxybuta-1,3-dienyl]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[(1E)-3-(2,4-dimethylphenyl)-1-methoxybuta-1,3-dienyl]-2,4-dimethylbenzene
PubChem CID89138571
Molecular FormulaC21H24O
Molecular Weight292.42 g/mol
Exact Mass292.18
IUPAC Name1-[(1E)-3-(2,4-dimethylphenyl)-1-methoxybuta-1,3-dienyl]-2,4-dimethylbenzene
SMILESC=C(/C=C(/OC)c1ccc(C)cc1C)c1ccc(C)cc1C
InChIInChI=1S/C21H24O/c1-14-7-9-19(16(3)11-14)18(5)13-21(22-6)20-10-8-15(2)12-17(20)4/h7-13H,5H2,1-4,6H3/b21-13+
InChIKeyUDUKXICJPQEDCY-FYJGNVAPSA-N
XLogP5.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-[(1E)-3-(2,4-dimethylphenyl)-1-methoxybuta-1,3-dienyl]-2,4-dimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-1-methoxyprop-1-enyl]-5-methylphenol
CID 130240719
(1Z,3Z)-5-(2,4-dimethylphenyl)-N,2-dimethylhexa-1,3,5-trien-1-amine
CID 121342877
dimethyl 2-[2-(2,4-dimethylphenyl)-2-oxoethylidene]propanedioate
CID 802091
(1Z,3Z)-5-(2,4-dimethylphenyl)-2-ethyl-N-methylhexa-1,3,5-trien-1-amine
CID 121342878
(1Z,3Z)-5-(2,4-dimethylphenyl)-N-methyl-2-propan-2-ylhexa-1,3,5-trien-1-amine
CID 118883021
2,4-dimethyl-1-[(3Z)-3-(4-methylphenyl)penta-1,3-dien-2-yl]benzene
CID 144777927
(1Z)-1-(2,4-dimethylphenyl)buta-1,3-diene-1,2-diol
CID 146991450
1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene
CID 143717580
2,4-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]benzene
CID 168947702
1-(2,4-dimethylphenyl)-2-fluoroprop-2-en-1-one
CID 11194655
methyl 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanylacetate
CID 43414147
1-[1-(2-ethylphenyl)ethenyl]-2,4-dimethylbenzene
CID 54132203

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-3-(2,4-dimethylphenyl)-1-methoxybuta-1,3-dienyl]-2,4-dimethylbenzene?
The IUPAC name of 1-[(1E)-3-(2,4-dimethylphenyl)-1-methoxybuta-1,3-dienyl]-2,4-dimethylbenzene (CID 89138571) is 1-[(1E)-3-(2,4-dimethylphenyl)-1-methoxybuta-1,3-dienyl]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[(1E)-3-(2,4-dimethylphenyl)-1-methoxybuta-1,3-dienyl]-2,4-dimethylbenzene?
The canonical SMILES for 1-[(1E)-3-(2,4-dimethylphenyl)-1-methoxybuta-1,3-dienyl]-2,4-dimethylbenzene is C=C(/C=C(/OC)c1ccc(C)cc1C)c1ccc(C)cc1C.
What is the InChIKey of 1-[(1E)-3-(2,4-dimethylphenyl)-1-methoxybuta-1,3-dienyl]-2,4-dimethylbenzene?
The InChIKey is UDUKXICJPQEDCY-FYJGNVAPSA-N. The full InChI is InChI=1S/C21H24O/c1-14-7-9-19(16(3)11-14)18(5)13-21(22-6)20-10-8-15(2)12-17(20)4/h7-13H,5H2,1-4,6H3/b21-13+.
What are the key properties of 1-[(1E)-3-(2,4-dimethylphenyl)-1-methoxybuta-1,3-dienyl]-2,4-dimethylbenzene?
1-[(1E)-3-(2,4-dimethylphenyl)-1-methoxybuta-1,3-dienyl]-2,4-dimethylbenzene has a molecular weight of 292.42 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-3-(2,4-dimethylphenyl)-1-methoxybuta-1,3-dienyl]-2,4-dimethylbenzene is sourced from PubChem (CID 89138571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).