1-methyl-3-(5-methyl-3-phenylhexa-2,4-dienyl)benzene

C20H22 — CID 123209273

IUPAC1-methyl-3-(5-methyl-3-phenylhexa-2,4-dienyl)benzene
SMILESCC(C)=CC(=CCc1cccc(C)c1)c1ccccc1
InChIInChI=1S/C20H22/c1-16(2)14-20(19-10-5-4-6-11-19)13-12-18-9-7-8-17(3)15-18/h4-11,13-15H,12H2,1-3H3
InChIKeyRTALCJHULGEVIR-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.59
Rot. Bonds4

About 1-methyl-3-(5-methyl-3-phenylhexa-2,4-dienyl)benzene

1-methyl-3-(5-methyl-3-phenylhexa-2,4-dienyl)benzene (PubChem CID 123209273) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-methyl-3-(5-methyl-3-phenylhexa-2,4-dienyl)benzene.

Molecular Properties

Compound Name1-methyl-3-(5-methyl-3-phenylhexa-2,4-dienyl)benzene
PubChem CID123209273
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name1-methyl-3-(5-methyl-3-phenylhexa-2,4-dienyl)benzene
SMILESCC(C)=CC(=CCc1cccc(C)c1)c1ccccc1
InChIInChI=1S/C20H22/c1-16(2)14-20(19-10-5-4-6-11-19)13-12-18-9-7-8-17(3)15-18/h4-11,13-15H,12H2,1-3H3
InChIKeyRTALCJHULGEVIR-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.59
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

(1Z,3E)-3,5-diphenylpenta-1,3-dien-1-amine
CID 145186823
(E)-2-ethyl-4-(3-methylphenyl)but-2-enamide
CID 175355339
3-(3-methylphenyl)-1-phenylpropan-1-one
CID 24725661
1-chloro-3-(3-methylphenyl)benzene;(Z)-1,3-diphenylprop-1-en-1-amine
CID 145299888
2-(3-methylphenyl)ethanolate
CID 142208639
(2E,4Z,6E,8Z)-9-methyl-1-(4-methylphenyl)-3-phenylundeca-2,4,6,8,10-pentaen-5-amine
CID 143239983
ethyl 2-fluoro-4-(3-methylphenyl)but-2-enoate
CID 66983006
(Z)-2,4-diphenylbut-2-en-1-imine
CID 144876754
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321
1,3-dimethyl-5-[(Z)-5-methyl-3-(3-phenylphenyl)hex-2-enyl]benzene
CID 145258694
tris[(3-methylphenyl)methyl]phosphane
CID 19845609
actinium;(Z)-4-phenylbut-2-en-2-ol
CID 22892787

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-methyl-3-phenylhexa-2,4-dienyl)benzene?
The IUPAC name of 1-methyl-3-(5-methyl-3-phenylhexa-2,4-dienyl)benzene (CID 123209273) is 1-methyl-3-(5-methyl-3-phenylhexa-2,4-dienyl)benzene.
What is the SMILES notation for 1-methyl-3-(5-methyl-3-phenylhexa-2,4-dienyl)benzene?
The canonical SMILES for 1-methyl-3-(5-methyl-3-phenylhexa-2,4-dienyl)benzene is CC(C)=CC(=CCc1cccc(C)c1)c1ccccc1.
What is the InChIKey of 1-methyl-3-(5-methyl-3-phenylhexa-2,4-dienyl)benzene?
The InChIKey is RTALCJHULGEVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-16(2)14-20(19-10-5-4-6-11-19)13-12-18-9-7-8-17(3)15-18/h4-11,13-15H,12H2,1-3H3.
What are the key properties of 1-methyl-3-(5-methyl-3-phenylhexa-2,4-dienyl)benzene?
1-methyl-3-(5-methyl-3-phenylhexa-2,4-dienyl)benzene has a molecular weight of 262.40 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-methyl-3-phenylhexa-2,4-dienyl)benzene is sourced from PubChem (CID 123209273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).