1-methyl-4-[4-[(2Z,6Z)-octa-2,6-dienyl]phenyl]benzene

C21H24 — CID 59812345

IUPAC1-methyl-4-[4-[(2Z,6Z)-octa-2,6-dienyl]phenyl]benzene
SMILESC/C=C\CC/C=C\Cc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C21H24/c1-3-4-5-6-7-8-9-19-12-16-21(17-13-19)20-14-10-18(2)11-15-20/h3-4,7-8,10-17H,5-6,9H2,1-2H3/b4-3-,8-7-
InChIKeyJIGDLZYVCVGWBP-KPDBFRNYSA-N
MW276.42 g/mol
LogP6.12
Rot. Bonds6

About 1-methyl-4-[4-[(2Z,6Z)-octa-2,6-dienyl]phenyl]benzene

1-methyl-4-[4-[(2Z,6Z)-octa-2,6-dienyl]phenyl]benzene (PubChem CID 59812345) has the molecular formula C21H24 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-methyl-4-[4-[(2Z,6Z)-octa-2,6-dienyl]phenyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-[(2Z,6Z)-octa-2,6-dienyl]phenyl]benzene
PubChem CID59812345
Molecular FormulaC21H24
Molecular Weight276.42 g/mol
Exact Mass276.19
IUPAC Name1-methyl-4-[4-[(2Z,6Z)-octa-2,6-dienyl]phenyl]benzene
SMILESC/C=C\CC/C=C\Cc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C21H24/c1-3-4-5-6-7-8-9-19-12-16-21(17-13-19)20-14-10-18(2)11-15-20/h3-4,7-8,10-17H,5-6,9H2,1-2H3/b4-3-,8-7-
InChIKeyJIGDLZYVCVGWBP-KPDBFRNYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(E)-but-2-enyl]phenyl]-4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]benzene
CID 140774680
1-hex-2-enyl-4-methylbenzene
CID 54148468
1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene
CID 140774698
1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
CID 76695097
1-methyl-4-[4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]prop-2-enyl]phenyl]benzene
CID 161223242
4-(4-but-2-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene
CID 59307258
ethane;1-methyl-4-[(2E,4Z,6Z)-octa-2,4,6-trienyl]benzene
CID 142879843
5-(4-methylphenyl)-N-propylpent-3-en-1-amine
CID 79591599
1-methyl-4-(5-methylhex-2-enyl)benzene
CID 91610142
methane;1-methyl-4-prop-2-enylbenzene
CID 165001357
1-methyl-2-octa-2,6-dienylbenzene
CID 123258139
(2E,6Z,10E)-dodeca-2,6,10-triene
CID 12503721

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[(2Z,6Z)-octa-2,6-dienyl]phenyl]benzene?
The IUPAC name of 1-methyl-4-[4-[(2Z,6Z)-octa-2,6-dienyl]phenyl]benzene (CID 59812345) is 1-methyl-4-[4-[(2Z,6Z)-octa-2,6-dienyl]phenyl]benzene.
What is the SMILES notation for 1-methyl-4-[4-[(2Z,6Z)-octa-2,6-dienyl]phenyl]benzene?
The canonical SMILES for 1-methyl-4-[4-[(2Z,6Z)-octa-2,6-dienyl]phenyl]benzene is C/C=C\CC/C=C\Cc1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of 1-methyl-4-[4-[(2Z,6Z)-octa-2,6-dienyl]phenyl]benzene?
The InChIKey is JIGDLZYVCVGWBP-KPDBFRNYSA-N. The full InChI is InChI=1S/C21H24/c1-3-4-5-6-7-8-9-19-12-16-21(17-13-19)20-14-10-18(2)11-15-20/h3-4,7-8,10-17H,5-6,9H2,1-2H3/b4-3-,8-7-.
What are the key properties of 1-methyl-4-[4-[(2Z,6Z)-octa-2,6-dienyl]phenyl]benzene?
1-methyl-4-[4-[(2Z,6Z)-octa-2,6-dienyl]phenyl]benzene has a molecular weight of 276.42 g/mol, XLogP of 6.12, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[(2Z,6Z)-octa-2,6-dienyl]phenyl]benzene is sourced from PubChem (CID 59812345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).