1-methyl-2-[6-(2-methylphenyl)hexa-1,3,5-trienyl]benzene

C20H20 — CID 2729839

IUPAC1-methyl-2-[6-(2-methylphenyl)hexa-1,3,5-trienyl]benzene
SMILESCc1ccccc1C=CC=CC=Cc1ccccc1C
InChIInChI=1S/C20H20/c1-17-11-7-9-15-19(17)13-5-3-4-6-14-20-16-10-8-12-18(20)2/h3-16H,1-2H3
InChIKeyQXHUVSSVWUFDQV-UHFFFAOYSA-N
MW260.38 g/mol
LogP5.59
Rot. Bonds4

About 1-methyl-2-[6-(2-methylphenyl)hexa-1,3,5-trienyl]benzene

1-methyl-2-[6-(2-methylphenyl)hexa-1,3,5-trienyl]benzene (PubChem CID 2729839) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-methyl-2-[6-(2-methylphenyl)hexa-1,3,5-trienyl]benzene.

Molecular Properties

Compound Name1-methyl-2-[6-(2-methylphenyl)hexa-1,3,5-trienyl]benzene
PubChem CID2729839
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name1-methyl-2-[6-(2-methylphenyl)hexa-1,3,5-trienyl]benzene
SMILESCc1ccccc1C=CC=CC=Cc1ccccc1C
InChIInChI=1S/C20H20/c1-17-11-7-9-15-19(17)13-5-3-4-6-14-20-16-10-8-12-18(20)2/h3-16H,1-2H3
InChIKeyQXHUVSSVWUFDQV-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 55.59
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-2-[(Z)-prop-1-enyl]benzene
CID 145388668
2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 144743897
N-[(Z)-2-(2-methylphenyl)ethenyl]methanimine
CID 129049120
2-[(1E,3E,5E)-6-(2,6-dimethylphenyl)hexa-1,3,5-trienyl]-1,3-dimethylbenzene
CID 102315083
1-[(E)-2-(2-methylphenyl)ethenyl]cyclopropan-1-amine
CID 105435585
(Z)-4-(2-methylphenyl)but-3-enal
CID 117268062
5,11,13,15-tetrakis[(E)-2-(2-methylphenyl)ethenyl]tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene
CID 10604517
[(E)-2-(2-methylphenyl)ethenyl]phosphonic acid
CID 19434418
1-isocyano-2-[(E)-2-(2-methylphenyl)ethenyl]benzene
CID 178076197
4-[(Z)-2-(2-methylphenyl)ethenyl]aniline
CID 58868755
[(E)-2-(2-methylphenyl)ethenyl]-triphenyl-λ4-sulfane
CID 167289774
1-[(E)-2-(2-methylphenyl)ethenyl]pyridin-1-ium
CID 1236364

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[6-(2-methylphenyl)hexa-1,3,5-trienyl]benzene?
The IUPAC name of 1-methyl-2-[6-(2-methylphenyl)hexa-1,3,5-trienyl]benzene (CID 2729839) is 1-methyl-2-[6-(2-methylphenyl)hexa-1,3,5-trienyl]benzene.
What is the SMILES notation for 1-methyl-2-[6-(2-methylphenyl)hexa-1,3,5-trienyl]benzene?
The canonical SMILES for 1-methyl-2-[6-(2-methylphenyl)hexa-1,3,5-trienyl]benzene is Cc1ccccc1C=CC=CC=Cc1ccccc1C.
What is the InChIKey of 1-methyl-2-[6-(2-methylphenyl)hexa-1,3,5-trienyl]benzene?
The InChIKey is QXHUVSSVWUFDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20/c1-17-11-7-9-15-19(17)13-5-3-4-6-14-20-16-10-8-12-18(20)2/h3-16H,1-2H3.
What are the key properties of 1-methyl-2-[6-(2-methylphenyl)hexa-1,3,5-trienyl]benzene?
1-methyl-2-[6-(2-methylphenyl)hexa-1,3,5-trienyl]benzene has a molecular weight of 260.38 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[6-(2-methylphenyl)hexa-1,3,5-trienyl]benzene is sourced from PubChem (CID 2729839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).