1-methyl-4-(4-phenylpenta-1,3-dienyl)benzene

C18H18 — CID 54269613

IUPAC1-methyl-4-(4-phenylpenta-1,3-dienyl)benzene
SMILESCC(=CC=Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C18H18/c1-15-11-13-17(14-12-15)8-6-7-16(2)18-9-4-3-5-10-18/h3-14H,1-2H3
InChIKeyRJFNBULRRSYCRY-UHFFFAOYSA-N
MW234.34 g/mol
LogP5.11
Rot. Bonds3

About 1-methyl-4-(4-phenylpenta-1,3-dienyl)benzene

1-methyl-4-(4-phenylpenta-1,3-dienyl)benzene (PubChem CID 54269613) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-methyl-4-(4-phenylpenta-1,3-dienyl)benzene.

Molecular Properties

Compound Name1-methyl-4-(4-phenylpenta-1,3-dienyl)benzene
PubChem CID54269613
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name1-methyl-4-(4-phenylpenta-1,3-dienyl)benzene
SMILESCC(=CC=Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C18H18/c1-15-11-13-17(14-12-15)8-6-7-16(2)18-9-4-3-5-10-18/h3-14H,1-2H3
InChIKeyRJFNBULRRSYCRY-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.34
LogP ≤ 55.11
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

N,N-diphenyl-4-[(1E,3E)-4-phenylpenta-1,3-dienyl]aniline
CID 23547422
1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene
CID 143180234
4-(5-phenylpenta-2,4-dien-2-yl)phenol
CID 87425286
1,4-bis[(1E,3E)-1-(4-methylphenyl)-4-phenylbuta-1,3-dienyl]benzene
CID 11730962
N-[4-[2-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]-N-phenylaniline
CID 155077496
1-methyl-4-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]benzene
CID 142964933
1,4-bis[2-[2-(2-phenylprop-1-enyl)phenyl]ethenyl]benzene
CID 59120075
1-[(1E,3E)-4-diphenylphosphoryl-4-(4-methylphenyl)buta-1,3-dienyl]-4-methylbenzene
CID 11532149
4-methylpenta-1,3-dienylbenzene
CID 3614395
5-phenylhexa-2,4-dienal
CID 71444454
1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene
CID 173138979
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-phenylpenta-1,3-dienyl)benzene?
The IUPAC name of 1-methyl-4-(4-phenylpenta-1,3-dienyl)benzene (CID 54269613) is 1-methyl-4-(4-phenylpenta-1,3-dienyl)benzene.
What is the SMILES notation for 1-methyl-4-(4-phenylpenta-1,3-dienyl)benzene?
The canonical SMILES for 1-methyl-4-(4-phenylpenta-1,3-dienyl)benzene is CC(=CC=Cc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 1-methyl-4-(4-phenylpenta-1,3-dienyl)benzene?
The InChIKey is RJFNBULRRSYCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18/c1-15-11-13-17(14-12-15)8-6-7-16(2)18-9-4-3-5-10-18/h3-14H,1-2H3.
What are the key properties of 1-methyl-4-(4-phenylpenta-1,3-dienyl)benzene?
1-methyl-4-(4-phenylpenta-1,3-dienyl)benzene has a molecular weight of 234.34 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-phenylpenta-1,3-dienyl)benzene is sourced from PubChem (CID 54269613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).