1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene

C21H24 — CID 169013280

IUPAC1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene
SMILESC/C(=C\C/C=C(\C)c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C21H24/c1-16-8-12-20(13-9-16)18(3)6-5-7-19(4)21-14-10-17(2)11-15-21/h6-15H,5H2,1-4H3/b18-6+,19-7+
InChIKeyIQZNYMDWTCEPMS-JRGWAENISA-N
MW276.42 g/mol
LogP6.20
Rot. Bonds4

About 1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene

1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene (PubChem CID 169013280) has the molecular formula C21H24 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene
PubChem CID169013280
Molecular FormulaC21H24
Molecular Weight276.42 g/mol
Exact Mass276.19
IUPAC Name1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene
SMILESC/C(=C\C/C=C(\C)c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C21H24/c1-16-8-12-20(13-9-16)18(3)6-5-7-19(4)21-14-10-17(2)11-15-21/h6-15H,5H2,1-4H3/b18-6+,19-7+
InChIKeyIQZNYMDWTCEPMS-JRGWAENISA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(Z)-but-2-en-2-yl]-4-methylbenzene
CID 58843251
1-but-2-en-2-yl-4-methylbenzene
CID 12583115
(E)-6-(4-methylphenyl)hept-5-en-2-one
CID 15742291
2-[3-(4-methylphenyl)but-2-enyl]-1,3-dithiolane
CID 71412189
1-methyl-4-[(2Z,6Z)-6-(4-methylphenyl)octa-2,6-dien-3-yl]benzene
CID 10589610
1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene
CID 143180234
1-bromo-4-[(Z)-4-(4-methylphenoxy)but-2-en-2-yl]benzene
CID 70944733
ethyl 5-(4-methylphenyl)hex-4-enoate
CID 67331298
2-[(2E)-5-methylhexa-2,5-dien-2-yl]naphthalene;1,4-xylene
CID 142975570
(Z)-1,3-bis(4-methylphenyl)but-2-en-1-one
CID 98548443
1-methyl-4-[4-[(2E)-penta-2,4-dien-2-yl]phenyl]benzene;propane
CID 145212384
(NZ)-N-[4-methyl-1-(4-methylphenyl)pent-3-enylidene]hydroxylamine
CID 177415583

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene?
The IUPAC name of 1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene (CID 169013280) is 1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene.
What is the SMILES notation for 1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene?
The canonical SMILES for 1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene is C/C(=C\C/C=C(\C)c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene?
The InChIKey is IQZNYMDWTCEPMS-JRGWAENISA-N. The full InChI is InChI=1S/C21H24/c1-16-8-12-20(13-9-16)18(3)6-5-7-19(4)21-14-10-17(2)11-15-21/h6-15H,5H2,1-4H3/b18-6+,19-7+.
What are the key properties of 1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene?
1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene has a molecular weight of 276.42 g/mol, XLogP of 6.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene is sourced from PubChem (CID 169013280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).