4-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methyl-1-(2-methylphenyl)benzene

C20H20 — CID 145204136

IUPAC4-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methyl-1-(2-methylphenyl)benzene
SMILESC=C/C=C\C=C/c1ccc(-c2ccccc2C)c(C)c1
InChIInChI=1S/C20H20/c1-4-5-6-7-11-18-13-14-20(17(3)15-18)19-12-9-8-10-16(19)2/h4-15H,1H2,2-3H3/b6-5-,11-7-
InChIKeyKXBFIUINNHDYTF-FUVGTJSASA-N
MW260.38 g/mol
LogP5.73
Rot. Bonds4

About 4-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methyl-1-(2-methylphenyl)benzene

4-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methyl-1-(2-methylphenyl)benzene (PubChem CID 145204136) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methyl-1-(2-methylphenyl)benzene.

Molecular Properties

Compound Name4-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methyl-1-(2-methylphenyl)benzene
PubChem CID145204136
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name4-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methyl-1-(2-methylphenyl)benzene
SMILESC=C/C=C\C=C/c1ccc(-c2ccccc2C)c(C)c1
InChIInChI=1S/C20H20/c1-4-5-6-7-11-18-13-14-20(17(3)15-18)19-12-9-8-10-16(19)2/h4-15H,1H2,2-3H3/b6-5-,11-7-
InChIKeyKXBFIUINNHDYTF-FUVGTJSASA-N
XLogP5.73
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 ≤ 55.73
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

[(1E,3Z)-hexa-1,3,5-trienyl]benzene
CID 12714123
ethane;1-methyl-2-(2-methylphenyl)-4-[(E)-prop-1-enyl]benzene
CID 90727526
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
2-methyl-4-[(E)-2-phenylethenyl]-1-[4-[(Z)-2-phenylethenyl]phenyl]benzene
CID 177422540
carbonic acid;hexa-1,3,5-trienylbenzene
CID 118450762
1-[(1Z)-buta-1,3-dienyl]-3-methylbenzene
CID 129406214
4-chloro-2-methyl-1-(2-methylphenyl)benzene
CID 70849207
hexa-1,3,5-trienylbenzene;5-phenylpenta-2,4-dienoic acid
CID 87104089
4-(2,2-diphenylethenyl)-1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-2-methylbenzene
CID 20758340
4-methoxy-2-methyl-1-(2-methylphenyl)benzene
CID 12981832
(3Z,5Z)-hepta-1,3,5-triene;2-methyl-9,9'-spirobi[fluorene]
CID 144810497
dimethylsilane;1-methyl-2-(2-methylphenyl)benzene
CID 162166796

Frequently Asked Questions

What is the IUPAC name of 4-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methyl-1-(2-methylphenyl)benzene?
The IUPAC name of 4-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methyl-1-(2-methylphenyl)benzene (CID 145204136) is 4-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methyl-1-(2-methylphenyl)benzene.
What is the SMILES notation for 4-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methyl-1-(2-methylphenyl)benzene?
The canonical SMILES for 4-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methyl-1-(2-methylphenyl)benzene is C=C/C=C\C=C/c1ccc(-c2ccccc2C)c(C)c1.
What is the InChIKey of 4-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methyl-1-(2-methylphenyl)benzene?
The InChIKey is KXBFIUINNHDYTF-FUVGTJSASA-N. The full InChI is InChI=1S/C20H20/c1-4-5-6-7-11-18-13-14-20(17(3)15-18)19-12-9-8-10-16(19)2/h4-15H,1H2,2-3H3/b6-5-,11-7-.
What are the key properties of 4-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methyl-1-(2-methylphenyl)benzene?
4-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methyl-1-(2-methylphenyl)benzene has a molecular weight of 260.38 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methyl-1-(2-methylphenyl)benzene is sourced from PubChem (CID 145204136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).