1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene

C19H20 — CID 143180234

IUPAC1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene
SMILESC/C(=C\C=C(/C)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C19H20/c1-15-9-13-19(14-10-15)17(3)12-11-16(2)18-7-5-4-6-8-18/h4-14H,1-3H3/b16-11+,17-12+
InChIKeyGHZNTQCPZHKNLI-MAEUFBSDSA-N
MW248.37 g/mol
LogP5.50
Rot. Bonds3

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

1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene (PubChem CID 143180234) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene
PubChem CID143180234
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene
SMILESC/C(=C\C=C(/C)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C19H20/c1-15-9-13-19(14-10-15)17(3)12-11-16(2)18-7-5-4-6-8-18/h4-14H,1-3H3/b16-11+,17-12+
InChIKeyGHZNTQCPZHKNLI-MAEUFBSDSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.50
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

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CID 54269613
1-[(Z)-but-2-en-2-yl]-4-methylbenzene
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1-but-2-en-2-yl-4-methylbenzene
CID 12583115
5-ethylhepta-2,4-dien-2-ylbenzene
CID 91182032
1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene
CID 58019403
[(E)-1-chloroprop-1-en-2-yl]benzene
CID 12504275
1-methyl-4-(4-phenylpent-3-en-2-yl)benzene
CID 173216306
(Z)-3-(4-phenylphenyl)but-2-enal
CID 20528564
methanamine;1-methyl-4-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]benzene;toluene
CID 142469835
1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene
CID 101391865
1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene
CID 169013280
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene?
The IUPAC name of 1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene (CID 143180234) is 1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene.
What is the SMILES notation for 1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene?
The canonical SMILES for 1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene is C/C(=C\C=C(/C)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene?
The InChIKey is GHZNTQCPZHKNLI-MAEUFBSDSA-N. The full InChI is InChI=1S/C19H20/c1-15-9-13-19(14-10-15)17(3)12-11-16(2)18-7-5-4-6-8-18/h4-14H,1-3H3/b16-11+,17-12+.
What are the key properties of 1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene?
1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene has a molecular weight of 248.37 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene is sourced from PubChem (CID 143180234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).